ENX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | H1C1 | sing | 1.09Å | 1.12Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C1 | H1C3 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | doub | 1.31Å | 1.34Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | O29 | sing | 1.45Å | 1.46Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | CL30 | sing | 1.80Å | 1.76Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O31 | sing | 1.43Å | 1.42Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8C1 | sing | 1.09Å | 1.12Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | O45 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | O32 | sing | 1.43Å | 1.43Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | O33 | sing | 1.43Å | 1.43Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C34 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | doub | 1.34Å | 1.35Å | |
| C13 | CL35 | sing | 1.74Å | 1.72Å | |
| C14 | C15 | sing | 1.42Å | 1.45Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.36Å | 1.35Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.41Å | 1.44Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.37Å | 1.35Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.40Å | 1.47Å | |
| C18 | C36 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | doub | 1.38Å | 1.35Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.40Å | 1.44Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.36Å | 1.35Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.41Å | 1.48Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | O24 | sing | 1.35Å | 1.40Å | |
| C23 | O37 | doub | 1.22Å | 1.24Å | |
| O24 | C25 | sing | 1.43Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C38 | sing | 1.53Å | 1.55Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | C40 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| C28 | O46 | doub | 1.21Å | 1.24Å | |
| C28 | O47 | sing | 1.34Å | 1.37Å | |
| O29 | C42 | sing | 1.35Å | 1.40Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H363 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | O41 | sing | 1.43Å | 1.42Å | |
| C38 | H38 | sing | 1.09Å | 1.11Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å | |
| C42 | N43 | sing | 1.35Å | 1.37Å | |
| C42 | O44 | doub | 1.21Å | 1.26Å | |
| N43 | H431 | sing | 0.97Å | 1.02Å | |
| N43 | H432 | sing | 0.97Å | 1.02Å | |
| O47 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1C1 | 111.4° | 109.4° |
| C2 | C1 | H1C2 | 111.5° | 109.5° |
| C2 | C1 | H1C3 | 111.5° | 109.5° |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C1 | C2 | H2C1 | 111.5° | 109.5° |
| C1 | C2 | H2C2 | 111.5° | 109.5° |
| H1C1 | C1 | H1C2 | 111.5° | 109.5° |
| H1C1 | C1 | H1C3 | 111.5° | 109.5° |
| H1C2 | C1 | H1C3 | 98.9° | 109.4° |
| C3 | C2 | H2C1 | 111.5° | 109.5° |
| C3 | C2 | H2C2 | 111.5° | 109.4° |
| C2 | C3 | C4 | 123.7° | 120.0° |
| C2 | C3 | H3 | 118.1° | 120.1° |
| H2C1 | C2 | H2C2 | 98.9° | 109.4° |
| C4 | C3 | H3 | 118.2° | 120.0° |
| C3 | C4 | C5 | 122.8° | 120.0° |
| C3 | C4 | H4 | 118.6° | 120.1° |
| C5 | C4 | H4 | 118.6° | 119.9° |
| C4 | C5 | C6 | 113.1° | 109.5° |
| C4 | C5 | O29 | 109.8° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.5° |
| C6 | C5 | O29 | 110.0° | 109.5° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C5 | C6 | C7 | 111.4° | 109.5° |
| C5 | C6 | CL30 | 109.4° | 109.5° |
| C5 | C6 | H6 | 108.1° | 109.5° |
| O29 | C5 | H5 | 107.9° | 109.5° |
| C5 | O29 | C42 | 120.7° | 117.0° |
| C7 | C6 | CL30 | 111.6° | 109.5° |
| C7 | C6 | H6 | 108.1° | 109.4° |
| C6 | C7 | C8 | 112.9° | 109.5° |
| C6 | C7 | O31 | 108.5° | 109.4° |
| C6 | C7 | H7 | 108.6° | 109.5° |
| CL30 | C6 | H6 | 108.1° | 109.4° |
| C8 | C7 | O31 | 109.6° | 109.4° |
| C8 | C7 | H7 | 108.6° | 109.5° |
| C7 | C8 | C9 | 113.7° | 109.5° |
| C7 | C8 | H8C1 | 110.7° | 109.4° |
| C7 | C8 | H8C2 | 110.7° | 109.4° |
| O31 | C7 | H7 | 108.6° | 109.4° |
| C7 | O31 | H31 | 108.5° | 114.0° |
| C9 | C8 | H8C1 | 110.6° | 109.5° |
| C9 | C8 | H8C2 | 110.6° | 109.6° |
| C8 | C9 | C10 | 117.2° | 120.0° |
| C8 | C9 | O45 | 122.7° | 120.0° |
| H8C1 | C8 | H8C2 | 99.6° | 109.4° |
| C10 | C9 | O45 | 120.1° | 120.0° |
| C9 | C10 | C11 | 109.7° | 109.5° |
| C9 | C10 | O32 | 111.8° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.5° |
| C11 | C10 | O32 | 109.9° | 109.4° |
| C11 | C10 | H10 | 108.5° | 109.5° |
| C10 | C11 | C12 | 114.1° | 109.5° |
| C10 | C11 | O33 | 105.6° | 109.4° |
| C10 | C11 | H11 | 108.4° | 109.5° |
| O32 | C10 | H10 | 108.5° | 109.4° |
| C10 | O32 | H32 | 111.7° | 114.0° |
| C12 | C11 | O33 | 111.9° | 109.5° |
| C12 | C11 | H11 | 108.4° | 109.4° |
| C11 | C12 | C13 | 109.7° | 109.5° |
| C11 | C12 | C34 | 111.5° | 109.5° |
| C11 | C12 | H12 | 108.6° | 109.4° |
| O33 | C11 | H11 | 108.3° | 109.5° |
| C11 | O33 | H33 | 105.6° | 114.1° |
| C13 | C12 | C34 | 109.8° | 109.5° |
| C13 | C12 | H12 | 108.6° | 109.5° |
| C12 | C13 | C14 | 121.2° | 120.0° |
| C12 | C13 | CL35 | 116.6° | 120.0° |
| C34 | C12 | H12 | 108.6° | 109.5° |
| C12 | C34 | H341 | 111.5° | 109.5° |
| C12 | C34 | H342 | 111.5° | 109.4° |
| C12 | C34 | H343 | 111.5° | 109.5° |
| C14 | C13 | CL35 | 122.2° | 120.0° |
| C13 | C14 | C15 | 126.5° | 120.0° |
| C13 | C14 | H14 | 116.8° | 120.0° |
| C15 | C14 | H14 | 116.8° | 120.0° |
| C14 | C15 | C16 | 122.3° | 120.0° |
| C14 | C15 | H15 | 118.9° | 120.0° |
| C16 | C15 | H15 | 118.9° | 120.0° |
| C15 | C16 | C17 | 121.6° | 120.0° |
| C15 | C16 | H16 | 119.2° | 120.0° |
| C17 | C16 | H16 | 119.2° | 120.0° |
| C16 | C17 | C18 | 127.4° | 120.0° |
| C16 | C17 | H17 | 116.3° | 120.0° |
| C18 | C17 | H17 | 116.3° | 120.0° |
| C17 | C18 | C19 | 117.0° | 120.0° |
| C17 | C18 | C36 | 124.3° | 120.0° |
| C19 | C18 | C36 | 118.7° | 120.0° |
| C18 | C19 | C20 | 126.7° | 120.0° |
| C18 | C19 | H19 | 116.7° | 120.0° |
| C18 | C36 | H361 | 124.4° | 109.5° |
| C18 | C36 | H362 | 107.0° | 109.5° |
| C18 | C36 | H363 | 106.9° | 109.4° |
| C20 | C19 | H19 | 116.6° | 120.0° |
| C19 | C20 | C21 | 122.2° | 120.0° |
| C19 | C20 | H20 | 118.9° | 120.0° |
| C21 | C20 | H20 | 118.9° | 120.0° |
| C20 | C21 | C22 | 122.7° | 120.0° |
| C20 | C21 | H21 | 118.6° | 120.0° |
| C22 | C21 | H21 | 118.7° | 120.0° |
| C21 | C22 | C23 | 122.6° | 120.0° |
| C21 | C22 | H22 | 118.7° | 120.0° |
| C23 | C22 | H22 | 118.7° | 120.0° |
| C22 | C23 | O24 | 113.0° | 120.0° |
| C22 | C23 | O37 | 127.7° | 120.0° |
| O24 | C23 | O37 | 119.3° | 120.0° |
| C23 | O24 | C25 | 120.7° | 117.0° |
| O24 | C25 | C26 | 107.8° | 109.5° |
| O24 | C25 | C38 | 111.3° | 109.5° |
| O24 | C25 | H25 | 109.5° | 109.5° |
| C26 | C25 | C38 | 109.3° | 109.5° |
| C26 | C25 | H25 | 109.4° | 109.4° |
| C25 | C26 | C27 | 110.9° | 109.4° |
| C25 | C26 | H261 | 111.7° | 109.5° |
| C25 | C26 | H262 | 111.7° | 109.5° |
| C38 | C25 | H25 | 109.5° | 109.5° |
| C25 | C38 | C39 | 112.2° | 109.5° |
| C25 | C38 | O41 | 111.9° | 109.5° |
| C25 | C38 | H38 | 108.3° | 109.5° |
| C27 | C26 | H261 | 111.7° | 109.5° |
| C27 | C26 | H262 | 111.7° | 109.5° |
| C26 | C27 | C28 | 110.8° | 109.4° |
| C26 | C27 | C40 | 111.1° | 109.4° |
| C26 | C27 | H27 | 108.2° | 109.5° |
| H261 | C26 | H262 | 98.7° | 109.5° |
| C28 | C27 | C40 | 110.1° | 109.5° |
| C28 | C27 | H27 | 108.2° | 109.5° |
| C27 | C28 | O46 | 129.7° | 120.0° |
| C27 | C28 | O47 | 113.9° | 120.0° |
| C40 | C27 | H27 | 108.2° | 109.5° |
| C27 | C40 | C39 | 111.3° | 109.5° |
| C27 | C40 | H401 | 111.5° | 109.4° |
| C27 | C40 | H402 | 111.5° | 109.5° |
| O46 | C28 | O47 | 116.4° | 120.0° |
| C28 | O47 | H47 | 113.8° | 117.0° |
| O29 | C42 | N43 | 111.8° | 119.9° |
| O29 | C42 | O44 | 122.0° | 120.0° |
| H341 | C34 | H342 | 111.4° | 109.5° |
| H341 | C34 | H343 | 111.5° | 109.5° |
| H342 | C34 | H343 | 98.9° | 109.5° |
| H361 | C36 | H362 | 106.9° | 109.5° |
| H361 | C36 | H363 | 107.0° | 109.5° |
| H362 | C36 | H363 | 102.7° | 109.5° |
| C39 | C38 | O41 | 107.7° | 109.4° |
| C39 | C38 | H38 | 108.3° | 109.5° |
| C38 | C39 | C40 | 110.1° | 109.5° |
| C38 | C39 | H391 | 112.0° | 109.5° |
| C38 | C39 | H392 | 112.0° | 109.5° |
| O41 | C38 | H38 | 108.3° | 109.4° |
| C38 | O41 | H41 | 111.9° | 114.0° |
| C40 | C39 | H391 | 111.9° | 109.5° |
| C40 | C39 | H392 | 112.0° | 109.4° |
| C39 | C40 | H401 | 111.5° | 109.5° |
| C39 | C40 | H402 | 111.5° | 109.5° |
| H391 | C39 | H392 | 98.4° | 109.4° |
| H401 | C40 | H402 | 98.9° | 109.4° |
| N43 | C42 | O44 | 126.2° | 120.0° |
| C42 | N43 | H431 | 111.8° | 120.0° |
| C42 | N43 | H432 | 126.2° | 120.0° |
| H431 | N43 | H432 | 122.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1C1 | H1C2 | 125.3° | 120.0° |
| C2 | C1 | H1C1 | H1C3 | 125.3° | 120.0° |
| C2 | C1 | H1C2 | H1C3 | 117.4° | 120.1° |
| C1 | C2 | C3 | H2C1 | 125.3° | 120.1° |
| C1 | C2 | C3 | H2C2 | 125.3° | 120.0° |
| C1 | C2 | H2C1 | H2C2 | 117.4° | 119.9° |
| C1 | C2 | C3 | C4 | 175.2° | 125.0° |
| C1 | C2 | C3 | H3 | 4.8° | 55.0° |
| H1C1 | C1 | H1C2 | H1C3 | 117.4° | 120.0° |
| H1C1 | C1 | C2 | C3 | 180.0° | 60.1° |
| H1C1 | C1 | C2 | H2C1 | 54.7° | 60.0° |
| H1C1 | C1 | C2 | H2C2 | 54.7° | 180.0° |
| H1C2 | C1 | C2 | C3 | 54.7° | 59.9° |
| H1C2 | C1 | C2 | H2C1 | 70.5° | 180.0° |
| H1C2 | C1 | C2 | H2C2 | 180.0° | 60.0° |
| H1C3 | C1 | C2 | C3 | 54.8° | 180.0° |
| H1C3 | C1 | C2 | H2C1 | 180.0° | 60.0° |
| H1C3 | C1 | C2 | H2C2 | 70.5° | 60.0° |
| C3 | C2 | H2C1 | H2C2 | 117.4° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.3° | 180.0° |
| C2 | C3 | C4 | H4 | 0.7° | 0.0° |
| H2C1 | C2 | C3 | C4 | 59.6° | 5.0° |
| H2C1 | C2 | C3 | H3 | 120.4° | 175.0° |
| H2C2 | C2 | C3 | C4 | 49.9° | 115.0° |
| H2C2 | C2 | C3 | H3 | 130.1° | 65.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 165.2° | 125.0° |
| C3 | C4 | C5 | O29 | 71.6° | 5.0° |
| C3 | C4 | C5 | H5 | 45.8° | 115.0° |
| H3 | C3 | C4 | C5 | 0.7° | 0.0° |
| H3 | C3 | C4 | H4 | 179.3° | 180.0° |
| C4 | C5 | C6 | O29 | 123.2° | 120.0° |
| C4 | C5 | C6 | H5 | 119.3° | 120.0° |
| C4 | C5 | O29 | H5 | 117.4° | 120.0° |
| C4 | C5 | C6 | C7 | 178.6° | 175.0° |
| C4 | C5 | C6 | CL30 | 57.5° | 65.0° |
| C4 | C5 | C6 | H6 | 59.9° | 55.0° |
| C4 | C5 | O29 | C42 | 99.2° | 90.0° |
| H4 | C4 | C5 | C6 | 14.9° | 55.0° |
| H4 | C4 | C5 | O29 | 108.4° | 175.0° |
| H4 | C4 | C5 | H5 | 134.2° | 65.0° |
| C6 | C5 | O29 | H5 | 117.5° | 120.0° |
| C5 | C6 | C7 | CL30 | 122.7° | 120.0° |
| C5 | C6 | C7 | H6 | 118.6° | 120.1° |
| C5 | C6 | CL30 | H6 | 117.5° | 120.1° |
| C5 | C6 | C7 | C8 | 180.0° | 175.0° |
| C5 | C6 | C7 | O31 | 58.4° | 55.0° |
| C5 | C6 | C7 | H7 | 59.5° | 65.0° |
| C6 | C5 | O29 | C42 | 135.7° | 150.0° |
| O29 | C5 | C6 | C7 | 55.4° | 55.0° |
| O29 | C5 | C6 | CL30 | 179.3° | 175.0° |
| O29 | C5 | C6 | H6 | 63.2° | 65.0° |
| C5 | O29 | C42 | N43 | 176.5° | 180.0° |
| C5 | O29 | C42 | O44 | 4.2° | 0.1° |
| H5 | C5 | C6 | C7 | 62.1° | 65.0° |
| H5 | C5 | C6 | CL30 | 61.8° | 55.0° |
| H5 | C5 | C6 | H6 | 179.2° | 175.0° |
| H5 | C5 | O29 | C42 | 18.2° | 30.0° |
| C7 | C6 | CL30 | H6 | 118.7° | 119.9° |
| C6 | C7 | C8 | O31 | 121.0° | 120.0° |
| C6 | C7 | C8 | H7 | 120.5° | 120.1° |
| C6 | C7 | O31 | H7 | 117.9° | 120.0° |
| C6 | C7 | C8 | C9 | 171.3° | 175.0° |
| C6 | C7 | C8 | H8C1 | 63.5° | 55.0° |
| C6 | C7 | C8 | H8C2 | 46.0° | 64.9° |
| C6 | C7 | O31 | H31 | 180.0° | 60.0° |
| CL30 | C6 | C7 | C8 | 57.3° | 54.9° |
| CL30 | C6 | C7 | O31 | 64.3° | 65.0° |
| CL30 | C6 | C7 | H7 | 177.9° | 175.0° |
| H6 | C6 | C7 | C8 | 61.3° | 64.9° |
| H6 | C6 | C7 | O31 | 177.0° | 175.1° |
| H6 | C6 | C7 | H7 | 59.2° | 55.1° |
| C8 | C7 | O31 | H7 | 118.5° | 120.0° |
| C7 | C8 | C9 | H8C1 | 125.3° | 119.9° |
| C7 | C8 | C9 | H8C2 | 125.3° | 120.0° |
| C7 | C8 | H8C1 | H8C2 | 116.5° | 119.9° |
| C7 | C8 | C9 | C10 | 173.3° | 180.0° |
| C7 | C8 | C9 | O45 | 6.4° | 0.1° |
| C8 | C7 | O31 | H31 | 56.4° | 60.0° |
| O31 | C7 | C8 | C9 | 67.7° | 65.0° |
| O31 | C7 | C8 | H8C1 | 57.5° | 175.0° |
| O31 | C7 | C8 | H8C2 | 167.0° | 55.1° |
| H7 | C7 | C8 | C9 | 50.7° | 54.9° |
| H7 | C7 | C8 | H8C1 | 176.0° | 65.1° |
| H7 | C7 | C8 | H8C2 | 74.5° | 175.0° |
| H7 | C7 | O31 | H31 | 62.1° | 180.0° |
| C9 | C8 | H8C1 | H8C2 | 116.5° | 120.1° |
| C8 | C9 | C10 | O45 | 179.7° | 179.9° |
| C8 | C9 | C10 | C11 | 49.1° | 75.0° |
| C8 | C9 | C10 | O32 | 171.2° | 165.0° |
| C8 | C9 | C10 | H10 | 69.2° | 45.0° |
| H8C1 | C8 | C9 | C10 | 48.0° | 60.1° |
| H8C1 | C8 | C9 | O45 | 131.6° | 120.0° |
| H8C2 | C8 | C9 | C10 | 61.4° | 60.0° |
| H8C2 | C8 | C9 | O45 | 118.9° | 119.9° |
| C9 | C10 | C11 | O32 | 123.2° | 120.0° |
| C9 | C10 | C11 | H10 | 118.3° | 120.1° |
| C9 | C10 | O32 | H10 | 119.6° | 120.0° |
| C9 | C10 | C11 | C12 | 172.3° | 175.0° |
| C9 | C10 | C11 | O33 | 64.5° | 55.0° |
| C9 | C10 | C11 | H11 | 51.5° | 65.0° |
| C9 | C10 | O32 | H32 | 180.0° | 60.0° |
| O45 | C9 | C10 | C11 | 131.2° | 105.0° |
| O45 | C9 | C10 | O32 | 9.1° | 14.9° |
| O45 | C9 | C10 | H10 | 110.4° | 134.9° |
| C11 | C10 | O32 | H10 | 118.4° | 120.0° |
| C10 | C11 | C12 | O33 | 119.8° | 120.0° |
| C10 | C11 | C12 | H11 | 120.8° | 120.0° |
| C10 | C11 | O33 | H11 | 116.0° | 120.0° |
| C10 | C11 | C12 | C13 | 178.8° | 180.0° |
| C10 | C11 | C12 | C34 | 59.4° | 60.0° |
| C10 | C11 | C12 | H12 | 60.2° | 60.0° |
| C11 | C10 | O32 | H32 | 58.0° | 60.0° |
| C10 | C11 | O33 | H33 | 180.0° | 60.0° |
| O32 | C10 | C11 | C12 | 64.5° | 55.0° |
| O32 | C10 | C11 | O33 | 58.7° | 65.0° |
| O32 | C10 | C11 | H11 | 174.7° | 175.0° |
| H10 | C10 | C11 | C12 | 53.9° | 64.9° |
| H10 | C10 | C11 | O33 | 177.2° | 175.0° |
| H10 | C10 | C11 | H11 | 66.9° | 55.0° |
| H10 | C10 | O32 | H32 | 60.4° | 180.0° |
| C12 | C11 | O33 | H11 | 119.4° | 120.0° |
| C11 | C12 | C13 | C34 | 122.8° | 120.0° |
| C11 | C12 | C13 | H12 | 118.6° | 120.0° |
| C11 | C12 | C34 | H12 | 119.6° | 120.0° |
| C11 | C12 | C13 | C14 | 114.7° | 120.0° |
| C11 | C12 | C13 | CL35 | 64.8° | 60.0° |
| C12 | C11 | O33 | H33 | 55.3° | 60.0° |
| C11 | C12 | C34 | H341 | 180.0° | 60.0° |
| C11 | C12 | C34 | H342 | 54.7° | 180.0° |
| C11 | C12 | C34 | H343 | 54.7° | 60.0° |
| O33 | C11 | C12 | C13 | 59.0° | 60.0° |
| O33 | C11 | C12 | C34 | 179.2° | 180.0° |
| O33 | C11 | C12 | H12 | 59.6° | 60.0° |
| H11 | C11 | C12 | C13 | 60.4° | 60.0° |
| H11 | C11 | C12 | C34 | 61.4° | 60.0° |
| H11 | C11 | C12 | H12 | 179.0° | 180.0° |
| H11 | C11 | O33 | H33 | 64.1° | 180.0° |
| C13 | C12 | C34 | H12 | 118.6° | 120.0° |
| C12 | C13 | C14 | CL35 | 179.4° | 179.9° |
| C12 | C13 | C14 | C15 | 178.9° | 180.0° |
| C12 | C13 | C14 | H14 | 1.1° | 0.1° |
| C13 | C12 | C34 | H341 | 58.2° | 180.0° |
| C13 | C12 | C34 | H342 | 176.5° | 60.0° |
| C13 | C12 | C34 | H343 | 67.1° | 60.0° |
| C34 | C12 | C13 | C14 | 122.5° | 120.0° |
| C34 | C12 | C13 | CL35 | 58.0° | 60.0° |
| C12 | C34 | H341 | H342 | 125.3° | 120.0° |
| C12 | C34 | H341 | H343 | 125.3° | 120.0° |
| C12 | C34 | H342 | H343 | 117.4° | 120.0° |
| H12 | C12 | C13 | C14 | 3.9° | 0.0° |
| H12 | C12 | C13 | CL35 | 176.6° | 179.9° |
| H12 | C12 | C34 | H341 | 60.4° | 60.0° |
| H12 | C12 | C34 | H342 | 64.9° | 60.0° |
| H12 | C12 | C34 | H343 | 174.4° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 179.5° | 180.0° |
| C13 | C14 | C15 | H15 | 0.5° | 0.0° |
| CL35 | C13 | C14 | C15 | 0.5° | 0.1° |
| CL35 | C13 | C14 | H14 | 179.5° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 178.3° | 180.0° |
| C14 | C15 | C16 | H16 | 1.7° | 0.0° |
| H14 | C14 | C15 | C16 | 0.5° | 0.0° |
| H14 | C14 | C15 | H15 | 179.5° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C15 | C16 | C17 | H17 | 0.6° | 0.1° |
| H15 | C15 | C16 | C17 | 1.7° | 0.1° |
| H15 | C15 | C16 | H16 | 178.3° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 177.2° | 180.0° |
| C16 | C17 | C18 | C36 | 1.0° | 0.0° |
| H16 | C16 | C17 | C18 | 0.6° | 0.0° |
| H16 | C16 | C17 | H17 | 179.4° | 180.0° |
| C17 | C18 | C19 | C36 | 178.3° | 180.0° |
| C17 | C18 | C19 | C20 | 177.1° | 180.0° |
| C17 | C18 | C19 | H19 | 2.9° | 0.0° |
| C17 | C18 | C36 | H361 | 180.0° | 90.0° |
| C17 | C18 | C36 | H362 | 54.7° | 150.0° |
| C17 | C18 | C36 | H363 | 54.7° | 30.0° |
| H17 | C17 | C18 | C19 | 2.8° | 0.0° |
| H17 | C17 | C18 | C36 | 179.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 164.7° | NaN° |
| C18 | C19 | C20 | H20 | 15.3° | 0.0° |
| C19 | C18 | C36 | H361 | 1.8° | 90.0° |
| C19 | C18 | C36 | H362 | 123.4° | 30.0° |
| C19 | C18 | C36 | H363 | 127.1° | 150.0° |
| C36 | C18 | C19 | C20 | 4.6° | 0.0° |
| C36 | C18 | C19 | H19 | 175.4° | 180.0° |
| C18 | C36 | H361 | H362 | 125.3° | 120.0° |
| C18 | C36 | H361 | H363 | 125.3° | 120.0° |
| C18 | C36 | H362 | H363 | 112.4° | 120.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 178.8° | 180.0° |
| C19 | C20 | C21 | H21 | 1.1° | 0.0° |
| H19 | C19 | C20 | C21 | 15.3° | 0.0° |
| H19 | C19 | C20 | H20 | 164.7° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 170.8° | 180.0° |
| C20 | C21 | C22 | H22 | 9.2° | 0.0° |
| H20 | C20 | C21 | C22 | 1.2° | 0.0° |
| H20 | C20 | C21 | H21 | 178.8° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | O24 | 3.2° | 180.0° |
| C21 | C22 | C23 | O37 | 176.7° | 0.0° |
| H21 | C21 | C22 | C23 | 9.2° | 0.0° |
| H21 | C21 | C22 | H22 | 170.8° | 180.0° |
| C22 | C23 | O24 | O37 | 179.9° | 180.0° |
| C22 | C23 | O24 | C25 | 179.8° | 180.0° |
| H22 | C22 | C23 | O24 | 176.8° | 0.0° |
| H22 | C22 | C23 | O37 | 3.3° | 180.0° |
| C23 | O24 | C25 | C26 | 81.5° | 150.0° |
| C23 | O24 | C25 | C38 | 158.7° | 90.0° |
| C23 | O24 | C25 | H25 | 37.5° | 30.0° |
| O37 | C23 | O24 | C25 | 0.1° | 0.0° |
| O24 | C25 | C26 | C38 | 121.1° | 120.0° |
| O24 | C25 | C26 | H25 | 119.0° | 120.0° |
| O24 | C25 | C38 | H25 | 121.2° | 120.0° |
| O24 | C25 | C26 | C27 | 64.4° | 60.0° |
| O24 | C25 | C26 | H261 | 170.4° | 60.0° |
| O24 | C25 | C26 | H262 | 60.9° | 180.0° |
| O24 | C25 | C38 | C39 | 61.7° | 60.0° |
| O24 | C25 | C38 | O41 | 59.5° | 60.0° |
| O24 | C25 | C38 | H38 | 178.9° | 180.0° |
| C26 | C25 | C38 | H25 | 119.9° | 120.0° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 117.6° | 120.0° |
| C25 | C26 | C27 | C28 | 179.7° | 180.0° |
| C25 | C26 | C27 | C40 | 56.9° | 60.0° |
| C25 | C26 | C27 | H27 | 61.8° | 60.0° |
| C26 | C25 | C38 | C39 | 57.3° | 60.0° |
| C26 | C25 | C38 | O41 | 178.5° | 180.0° |
| C26 | C25 | C38 | H38 | 62.2° | 60.0° |
| C38 | C25 | C26 | C27 | 56.7° | 60.0° |
| C38 | C25 | C26 | H261 | 68.5° | 180.0° |
| C38 | C25 | C26 | H262 | 178.0° | 59.9° |
| C25 | C38 | C39 | O41 | 123.6° | 120.0° |
| C25 | C38 | C39 | H38 | 119.5° | 120.0° |
| C25 | C38 | O41 | H38 | 119.3° | 120.0° |
| C25 | C38 | C39 | C40 | 56.7° | 60.0° |
| C25 | C38 | C39 | H391 | 68.5° | 180.0° |
| C25 | C38 | C39 | H392 | 178.0° | 60.0° |
| C25 | C38 | O41 | H41 | 180.0° | 180.0° |
| H25 | C25 | C26 | C27 | 176.7° | 180.0° |
| H25 | C25 | C26 | H261 | 51.4° | 60.0° |
| H25 | C25 | C26 | H262 | 58.1° | 60.1° |
| H25 | C25 | C38 | C39 | 177.2° | 180.0° |
| H25 | C25 | C38 | O41 | 61.7° | 60.0° |
| H25 | C25 | C38 | H38 | 57.7° | 60.0° |
| C27 | C26 | H261 | H262 | 117.6° | 120.0° |
| C26 | C27 | C28 | C40 | 123.3° | 119.9° |
| C26 | C27 | C28 | H27 | 118.5° | 120.0° |
| C26 | C27 | C40 | H27 | 118.7° | 120.0° |
| C26 | C27 | C28 | O46 | 89.9° | 0.0° |
| C26 | C27 | C28 | O47 | 89.9° | 180.0° |
| C26 | C27 | C40 | C39 | 56.1° | 60.0° |
| C26 | C27 | C40 | H401 | 69.2° | 180.0° |
| C26 | C27 | C40 | H402 | 178.6° | 60.0° |
| H261 | C26 | C27 | C28 | 54.4° | 60.0° |
| H261 | C26 | C27 | C40 | 68.4° | 180.0° |
| H261 | C26 | C27 | H27 | 172.9° | 60.0° |
| H262 | C26 | C27 | C28 | 55.1° | 60.0° |
| H262 | C26 | C27 | C40 | 177.8° | 60.0° |
| H262 | C26 | C27 | H27 | 63.5° | 180.0° |
| C28 | C27 | C40 | H27 | 118.1° | 120.0° |
| C27 | C28 | O46 | O47 | 179.8° | 180.0° |
| C28 | C27 | C40 | C39 | 179.2° | 180.0° |
| C28 | C27 | C40 | H401 | 54.0° | 60.0° |
| C28 | C27 | C40 | H402 | 55.5° | 59.9° |
| C27 | C28 | O47 | H47 | 180.0° | 180.0° |
| C40 | C27 | C28 | O46 | 33.4° | 120.0° |
| C40 | C27 | C28 | O47 | 146.8° | 60.0° |
| C27 | C40 | C39 | C38 | 55.3° | 60.0° |
| C27 | C40 | C39 | H401 | 125.3° | 120.0° |
| C27 | C40 | C39 | H402 | 125.3° | 120.0° |
| C27 | C40 | C39 | H391 | 69.9° | 179.9° |
| C27 | C40 | C39 | H392 | 179.4° | 60.0° |
| C27 | C40 | H401 | H402 | 117.4° | 120.0° |
| H27 | C27 | C28 | O46 | 151.5° | 120.0° |
| H27 | C27 | C28 | O47 | 28.6° | 60.0° |
| H27 | C27 | C40 | C39 | 62.6° | 60.0° |
| H27 | C27 | C40 | H401 | 172.1° | 60.0° |
| H27 | C27 | C40 | H402 | 62.7° | 180.0° |
| O46 | C28 | O47 | H47 | 0.2° | 0.0° |
| O29 | C42 | N43 | O44 | 179.3° | 179.9° |
| O29 | C42 | N43 | H431 | 180.0° | 0.1° |
| O29 | C42 | N43 | H432 | 0.7° | 180.0° |
| H341 | C34 | H342 | H343 | 117.4° | 120.0° |
| H361 | C36 | H362 | H363 | 112.4° | 120.0° |
| C39 | C38 | O41 | H38 | 116.9° | 120.0° |
| C38 | C39 | C40 | H391 | 125.2° | 120.1° |
| C38 | C39 | C40 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H392 | 117.9° | 120.0° |
| C38 | C39 | C40 | H401 | 70.0° | 180.0° |
| C38 | C39 | C40 | H402 | 179.4° | 60.0° |
| C39 | C38 | O41 | H41 | 56.3° | 60.0° |
| O41 | C38 | C39 | C40 | 179.7° | 180.0° |
| O41 | C38 | C39 | H391 | 55.0° | 60.0° |
| O41 | C38 | C39 | H392 | 54.5° | 60.0° |
| H38 | C38 | C39 | C40 | 62.8° | 60.0° |
| H38 | C38 | C39 | H391 | 172.0° | 60.0° |
| H38 | C38 | C39 | H392 | 62.5° | 180.0° |
| H38 | C38 | O41 | H41 | 60.7° | 60.0° |
| C40 | C39 | H391 | H392 | 117.9° | 119.9° |
| C39 | C40 | H401 | H402 | 117.4° | 120.0° |
| H391 | C39 | C40 | H401 | 164.8° | 59.9° |
| H391 | C39 | C40 | H402 | 55.3° | 60.0° |
| H392 | C39 | C40 | H401 | 55.3° | 60.0° |
| H392 | C39 | C40 | H402 | 54.1° | 180.0° |
| C42 | N43 | H431 | H432 | 179.4° | 179.9° |
| O44 | C42 | N43 | H431 | 0.7° | 180.0° |
| O44 | C42 | N43 | H432 | 180.0° | 0.1° |
