H27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CC1 | CZ1 | sing | 1.53Å | 1.51Å | |
| CC2 | CZ1 | sing | 1.53Å | 1.50Å | |
| CZ1 | CZA | sing | 1.53Å | 1.53Å | |
| OS1 | SA | doub | 1.42Å | 1.33Å | |
| CZA | C | sing | 1.51Å | 1.49Å | |
| CZA | NA | sing | 1.47Å | 1.46Å | |
| OZ2 | C | doub | 1.21Å | 1.22Å | |
| C | O98 | sing | 1.34Å | 1.24Å | |
| NA | SA | sing | 1.66Å | 1.47Å | |
| NA | C24 | sing | 1.40Å | 1.45Å | |
| SA | OS2 | doub | 1.42Å | 1.32Å | |
| SA | C12 | sing | 1.76Å | 1.61Å | |
| C25 | C24 | doub | 1.32Å | 1.52Å | |
| C25 | N93 | sing | 1.40Å | 1.45Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| SUR | C95 | doub | 1.71Å | 1.55Å | |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N93 | C95 | sing | 1.35Å | 1.32Å | |
| C47 | C40 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C95 | N94 | sing | 1.35Å | 1.32Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 1.50Å | |
| C40 | O39 | sing | 1.34Å | 1.46Å | |
| C40 | O48 | doub | 1.21Å | 1.21Å | |
| N94 | C27 | sing | 1.46Å | 1.44Å | |
| C19 | C18 | doub | 1.39Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| O39 | C38 | sing | 1.45Å | 1.42Å | |
| C45 | C44 | sing | 1.51Å | 1.49Å | |
| C18 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| O46 | C44 | doub | 1.21Å | 1.22Å | |
| C27 | O32 | sing | 1.43Å | 1.42Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| O32 | C33 | sing | 1.43Å | 1.43Å | |
| C44 | N43 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | doub | 1.38Å | 1.36Å | Aromatic |
| C33 | C38 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | N43 | sing | 1.47Å | 1.47Å | |
| C28 | C35 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | O41 | sing | 1.45Å | 1.41Å | |
| C35 | O36 | sing | 1.45Å | 1.41Å | |
| O41 | C42 | sing | 1.34Å | 1.46Å | |
| O36 | C37 | sing | 1.34Å | 1.43Å | |
| C49 | C42 | sing | 1.51Å | 1.50Å | |
| C42 | O50 | doub | 1.21Å | 1.22Å | |
| C37 | O52 | doub | 1.21Å | 1.18Å | |
| C37 | C51 | sing | 1.51Å | 1.50Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C51 | H9 | sing | 1.09Å | 1.10Å | |
| C51 | H10 | sing | 1.09Å | 1.10Å | |
| C51 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| N43 | H14 | sing | 0.97Å | 1.00Å | |
| C45 | H15 | sing | 1.09Å | 1.10Å | |
| C45 | H16 | sing | 1.09Å | 1.10Å | |
| C45 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C49 | H19 | sing | 1.09Å | 1.10Å | |
| C49 | H20 | sing | 1.09Å | 1.10Å | |
| C49 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C47 | H25 | sing | 1.09Å | 1.10Å | |
| C47 | H26 | sing | 1.09Å | 1.10Å | |
| C47 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| N94 | H29 | sing | 0.97Å | 1.00Å | |
| N93 | H30 | sing | 0.97Å | 1.00Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| CZA | H32 | sing | 1.09Å | 1.10Å | |
| CZ1 | H33 | sing | 1.09Å | 1.10Å | |
| CC1 | H34 | sing | 1.09Å | 1.10Å | |
| CC1 | H35 | sing | 1.09Å | 1.10Å | |
| CC1 | H36 | sing | 1.09Å | 1.10Å | |
| CC2 | H37 | sing | 1.09Å | 1.10Å | |
| CC2 | H38 | sing | 1.09Å | 1.10Å | |
| CC2 | H39 | sing | 1.09Å | 1.10Å | |
| O98 | H40 | sing | 0.97Å | 0.95Å | |
| C17 | H41 | sing | 1.08Å | 1.08Å | |
| C19 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CC1 | CZ1 | CC2 | 105.7° | 109.5° |
| CC1 | CZ1 | CZA | 114.2° | 109.5° |
| CC1 | CZ1 | H33 | 107.7° | 109.5° |
| CZ1 | CC1 | H34 | 109.5° | 109.5° |
| CZ1 | CC1 | H35 | 109.5° | 109.5° |
| CZ1 | CC1 | H36 | 109.5° | 109.5° |
| CC2 | CZ1 | CZA | 113.9° | 109.5° |
| CC2 | CZ1 | H33 | 107.8° | 109.5° |
| CZ1 | CC2 | H37 | 109.5° | 109.5° |
| CZ1 | CC2 | H38 | 109.5° | 109.5° |
| CZ1 | CC2 | H39 | 109.4° | 109.5° |
| CZ1 | CZA | C | 110.7° | 109.5° |
| CZ1 | CZA | NA | 111.5° | 109.4° |
| CZ1 | CZA | H32 | 106.7° | 109.5° |
| CZA | CZ1 | H33 | 107.3° | 109.4° |
| OS1 | SA | NA | 108.0° | 106.4° |
| OS1 | SA | OS2 | 111.8° | 123.2° |
| OS1 | SA | C12 | 109.3° | 106.4° |
| C | CZA | NA | 112.8° | 109.5° |
| CZA | C | OZ2 | 117.9° | 120.0° |
| CZA | C | O98 | 117.8° | 120.0° |
| C | CZA | H32 | 107.2° | 109.5° |
| CZA | NA | SA | 123.4° | 120.0° |
| CZA | NA | C24 | 117.1° | 120.0° |
| NA | CZA | H32 | 107.6° | 109.5° |
| OZ2 | C | O98 | 124.3° | 120.0° |
| C | O98 | H40 | 109.5° | 117.0° |
| SA | NA | C24 | 118.6° | 120.0° |
| NA | SA | OS2 | 111.4° | 106.4° |
| NA | SA | C12 | 103.4° | 107.2° |
| NA | C24 | C25 | 115.1° | 120.0° |
| NA | C24 | H8 | 122.5° | 120.0° |
| OS2 | SA | C12 | 112.4° | 106.4° |
| SA | C12 | C13 | 122.0° | 119.9° |
| SA | C12 | C17 | 122.8° | 119.9° |
| C24 | C25 | N93 | 115.1° | 120.0° |
| C25 | C24 | H8 | 122.4° | 120.0° |
| C24 | C25 | H31 | 122.4° | 120.0° |
| C25 | N93 | C95 | 124.4° | 119.9° |
| C25 | N93 | H30 | 117.8° | 120.0° |
| N93 | C25 | H31 | 122.5° | 120.1° |
| C12 | C13 | C14 | 122.3° | 120.1° |
| C13 | C12 | C17 | 115.2° | 120.3° |
| C12 | C13 | H1 | 118.8° | 119.9° |
| C13 | C14 | C15 | 121.5° | 119.9° |
| C14 | C13 | H1 | 118.9° | 119.9° |
| C13 | C14 | H2 | 119.3° | 120.1° |
| SUR | C95 | N93 | 122.7° | 120.0° |
| SUR | C95 | N94 | 118.1° | 120.0° |
| C12 | C17 | C16 | 122.3° | 120.1° |
| C12 | C17 | H41 | 118.9° | 119.9° |
| N93 | C95 | N94 | 118.9° | 120.0° |
| C95 | N93 | H30 | 117.8° | 120.0° |
| C47 | C40 | O39 | 121.7° | 120.0° |
| C47 | C40 | O48 | 120.7° | 120.0° |
| C40 | C47 | H25 | 109.5° | 109.5° |
| C40 | C47 | H26 | 109.5° | 109.5° |
| C40 | C47 | H27 | 109.4° | 109.5° |
| C14 | C15 | C16 | 116.7° | 119.7° |
| C14 | C15 | C18 | 121.9° | 120.1° |
| C15 | C14 | H2 | 119.3° | 120.1° |
| C95 | N94 | C27 | 131.4° | 120.0° |
| C95 | N94 | H29 | 114.3° | 120.0° |
| C17 | C16 | C15 | 122.0° | 119.9° |
| C17 | C16 | H3 | 119.0° | 120.1° |
| C16 | C17 | H41 | 118.8° | 119.9° |
| C16 | C15 | C18 | 121.4° | 120.1° |
| C15 | C16 | H3 | 119.0° | 120.0° |
| C15 | C18 | C19 | 121.5° | 120.1° |
| C15 | C18 | C23 | 122.0° | 120.1° |
| O39 | C40 | O48 | 117.6° | 120.1° |
| C40 | O39 | C38 | 122.3° | 117.0° |
| N94 | C27 | O32 | 112.4° | 109.5° |
| N94 | C27 | C28 | 104.8° | 109.5° |
| N94 | C27 | H28 | 110.8° | 109.5° |
| C27 | N94 | H29 | 114.3° | 120.0° |
| C18 | C19 | C20 | 123.2° | 119.9° |
| C19 | C18 | C23 | 116.5° | 119.7° |
| C18 | C19 | H42 | 118.4° | 120.1° |
| C19 | C20 | C21 | 120.0° | 120.1° |
| C19 | C20 | H4 | 120.0° | 119.9° |
| C20 | C19 | H42 | 118.4° | 120.1° |
| O39 | C38 | C33 | 111.2° | 109.5° |
| O39 | C38 | H23 | 109.0° | 109.5° |
| O39 | C38 | H24 | 109.1° | 109.5° |
| C45 | C44 | O46 | 123.0° | 120.0° |
| C45 | C44 | N43 | 112.1° | 120.0° |
| C44 | C45 | H15 | 109.5° | 109.5° |
| C44 | C45 | H16 | 109.5° | 109.5° |
| C44 | C45 | H17 | 109.5° | 109.5° |
| C18 | C23 | C22 | 120.9° | 119.9° |
| C18 | C23 | H7 | 119.6° | 120.0° |
| O46 | C44 | N43 | 124.9° | 120.0° |
| O32 | C27 | C28 | 108.0° | 109.4° |
| C27 | O32 | C33 | 112.3° | 114.1° |
| O32 | C27 | H28 | 111.1° | 109.5° |
| C27 | C28 | N43 | 113.9° | 109.5° |
| C27 | C28 | C35 | 115.8° | 109.2° |
| C27 | C28 | H13 | 104.4° | 109.6° |
| C28 | C27 | H28 | 109.5° | 109.5° |
| O32 | C33 | C38 | 110.0° | 109.5° |
| O32 | C33 | C34 | 111.0° | 109.4° |
| O32 | C33 | H22 | 110.1° | 109.5° |
| C44 | N43 | C28 | 122.7° | 120.0° |
| C44 | N43 | H14 | 118.7° | 120.0° |
| C20 | C21 | C22 | 118.0° | 120.2° |
| C21 | C20 | H4 | 120.0° | 120.0° |
| C20 | C21 | H5 | 121.0° | 119.9° |
| C38 | C33 | C34 | 108.3° | 109.5° |
| C38 | C33 | H22 | 108.6° | 109.4° |
| C33 | C38 | H23 | 109.0° | 109.5° |
| C33 | C38 | H24 | 109.0° | 109.4° |
| C33 | C34 | C35 | 116.1° | 109.2° |
| C33 | C34 | O41 | 113.9° | 109.5° |
| C33 | C34 | H18 | 106.6° | 109.6° |
| C34 | C33 | H22 | 108.8° | 109.5° |
| C23 | C22 | C21 | 121.4° | 120.1° |
| C23 | C22 | H6 | 119.3° | 119.9° |
| C22 | C23 | H7 | 119.5° | 120.1° |
| N43 | C28 | C35 | 111.9° | 109.5° |
| N43 | C28 | H13 | 105.0° | 109.5° |
| C28 | N43 | H14 | 118.6° | 120.0° |
| C28 | C35 | C34 | 116.7° | 109.1° |
| C28 | C35 | O36 | 109.3° | 109.6° |
| C28 | C35 | H12 | 108.9° | 109.5° |
| C35 | C28 | H13 | 104.4° | 109.5° |
| C22 | C21 | H5 | 121.0° | 119.8° |
| C21 | C22 | H6 | 119.3° | 120.0° |
| C35 | C34 | O41 | 105.2° | 109.5° |
| C34 | C35 | O36 | 102.2° | 109.5° |
| C34 | C35 | H12 | 109.1° | 109.5° |
| C35 | C34 | H18 | 106.8° | 109.6° |
| C34 | O41 | C42 | 106.9° | 117.0° |
| O41 | C34 | H18 | 108.0° | 109.5° |
| C35 | O36 | C37 | 113.1° | 117.0° |
| O36 | C35 | H12 | 110.6° | 109.6° |
| O41 | C42 | C49 | 119.4° | 120.0° |
| O41 | C42 | O50 | 117.6° | 120.0° |
| O36 | C37 | O52 | 113.6° | 120.0° |
| O36 | C37 | C51 | 124.3° | 120.0° |
| C49 | C42 | O50 | 123.0° | 120.0° |
| C42 | C49 | H19 | 109.5° | 109.5° |
| C42 | C49 | H20 | 109.5° | 109.4° |
| C42 | C49 | H21 | 109.5° | 109.5° |
| O52 | C37 | C51 | 122.1° | 120.0° |
| C37 | C51 | H9 | 109.5° | 109.5° |
| C37 | C51 | H10 | 109.5° | 109.5° |
| C37 | C51 | H11 | 109.5° | 109.4° |
| H9 | C51 | H10 | 109.5° | 109.5° |
| H9 | C51 | H11 | 109.5° | 109.5° |
| H10 | C51 | H11 | 109.5° | 109.5° |
| H15 | C45 | H16 | 109.5° | 109.4° |
| H15 | C45 | H17 | 109.5° | 109.4° |
| H16 | C45 | H17 | 109.5° | 109.4° |
| H19 | C49 | H20 | 109.5° | 109.5° |
| H19 | C49 | H21 | 109.5° | 109.5° |
| H20 | C49 | H21 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.4° |
| H25 | C47 | H26 | 109.4° | 109.5° |
| H25 | C47 | H27 | 109.5° | 109.4° |
| H26 | C47 | H27 | 109.5° | 109.5° |
| H34 | CC1 | H35 | 109.4° | 109.4° |
| H34 | CC1 | H36 | 109.5° | 109.5° |
| H35 | CC1 | H36 | 109.4° | 109.5° |
| H37 | CC2 | H38 | 109.4° | 109.4° |
| H37 | CC2 | H39 | 109.5° | 109.5° |
| H38 | CC2 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CC1 | CZ1 | CC2 | CZA | 126.2° | 120.0° |
| CC1 | CZ1 | CC2 | H33 | 114.9° | 120.0° |
| CC1 | CZ1 | CZA | H33 | 119.2° | 120.0° |
| CC1 | CZ1 | CZA | C | 162.3° | 43.6° |
| CC1 | CZ1 | CZA | NA | 71.3° | 76.3° |
| CC1 | CZ1 | CZA | H32 | 46.0° | 163.7° |
| CZ1 | CC1 | H34 | H35 | 120.0° | 120.0° |
| CZ1 | CC1 | H34 | H36 | 120.0° | 120.0° |
| CZ1 | CC1 | H35 | H36 | 120.0° | 120.0° |
| CC1 | CZ1 | CC2 | H37 | 180.0° | 180.0° |
| CC1 | CZ1 | CC2 | H38 | 60.0° | 60.0° |
| CC1 | CZ1 | CC2 | H39 | 60.0° | 60.0° |
| CC2 | CZ1 | CZA | H33 | 119.2° | 120.0° |
| CC2 | CZ1 | CZA | C | 40.7° | 163.7° |
| CC2 | CZ1 | CZA | NA | 167.2° | 43.7° |
| CC2 | CZ1 | CZA | H32 | 75.6° | 76.3° |
| CC2 | CZ1 | CC1 | H34 | 180.0° | 79.4° |
| CC2 | CZ1 | CC1 | H35 | 60.0° | 160.7° |
| CC2 | CZ1 | CC1 | H36 | 60.0° | 40.7° |
| CZ1 | CC2 | H37 | H38 | 120.0° | 120.0° |
| CZ1 | CC2 | H37 | H39 | 120.0° | 120.0° |
| CZ1 | CC2 | H38 | H39 | 120.0° | 120.0° |
| CZ1 | CZA | C | NA | 125.7° | 119.9° |
| CZ1 | CZA | C | H32 | 116.1° | 120.0° |
| CZ1 | CZA | NA | H32 | 116.7° | 120.0° |
| CZ1 | CZA | C | OZ2 | 96.1° | 126.4° |
| CZ1 | CZA | C | O98 | 82.0° | 53.6° |
| CZ1 | CZA | NA | SA | 137.1° | 68.3° |
| CZ1 | CZA | NA | C24 | 53.5° | 111.8° |
| CZA | CZ1 | CC1 | H34 | 54.0° | 160.6° |
| CZA | CZ1 | CC1 | H35 | 66.0° | 40.6° |
| CZA | CZ1 | CC1 | H36 | 174.0° | 79.4° |
| CZA | CZ1 | CC2 | H37 | 53.8° | 60.0° |
| CZA | CZ1 | CC2 | H38 | 173.8° | 179.9° |
| CZA | CZ1 | CC2 | H39 | 66.2° | 60.0° |
| OS1 | SA | NA | CZA | 38.6° | 145.9° |
| OS1 | SA | NA | OS2 | 123.2° | 132.9° |
| OS1 | SA | NA | C12 | 115.8° | 113.6° |
| OS1 | SA | NA | C24 | 152.1° | 34.1° |
| OS1 | SA | OS2 | C12 | 123.5° | 123.0° |
| OS1 | SA | C12 | C13 | 24.7° | 129.6° |
| OS1 | SA | C12 | C17 | 155.6° | 50.4° |
| C | CZA | NA | H32 | 118.0° | 120.1° |
| CZA | C | OZ2 | O98 | 177.9° | 179.9° |
| C | CZA | NA | SA | 97.6° | 51.7° |
| C | CZA | NA | C24 | 71.8° | 128.3° |
| C | CZA | CZ1 | H33 | 78.5° | 76.4° |
| CZA | C | O98 | H40 | 177.9° | 180.0° |
| NA | CZA | C | OZ2 | 138.2° | 6.5° |
| NA | CZA | C | O98 | 43.7° | 173.6° |
| CZA | NA | SA | C24 | 169.3° | 180.0° |
| CZA | NA | SA | OS2 | 161.8° | 13.0° |
| CZA | NA | SA | C12 | 77.3° | 100.6° |
| CZA | NA | C24 | C25 | 96.9° | 1.7° |
| CZA | NA | C24 | H8 | 83.1° | 178.2° |
| NA | CZA | CZ1 | H33 | 48.0° | 163.6° |
| OZ2 | C | CZA | H32 | 20.0° | 113.5° |
| OZ2 | C | O98 | H40 | 0.0° | 0.1° |
| O98 | C | CZA | H32 | 162.0° | 66.4° |
| NA | SA | OS2 | C12 | 115.5° | 114.1° |
| SA | NA | C24 | C25 | 93.1° | 178.3° |
| NA | SA | C12 | C13 | 90.2° | 116.9° |
| NA | SA | C12 | C17 | 89.5° | 63.1° |
| SA | NA | C24 | H8 | 86.9° | 1.7° |
| SA | NA | CZA | H32 | 20.3° | 171.8° |
| C24 | NA | SA | OS2 | 28.9° | 167.0° |
| C24 | NA | SA | C12 | 92.1° | 79.4° |
| NA | C24 | C25 | H8 | 180.0° | 180.0° |
| NA | C24 | C25 | N93 | 172.3° | 175.5° |
| NA | C24 | C25 | H31 | 7.7° | 4.5° |
| C24 | NA | CZA | H32 | 170.2° | 8.2° |
| OS2 | SA | C12 | C13 | 149.5° | 3.4° |
| OS2 | SA | C12 | C17 | 30.7° | 176.6° |
| SA | C12 | C13 | C17 | 179.8° | 180.0° |
| SA | C12 | C13 | C14 | 178.8° | 180.0° |
| SA | C12 | C17 | C16 | 179.9° | 180.0° |
| SA | C12 | C13 | H1 | 1.2° | 0.3° |
| SA | C12 | C17 | H41 | 0.1° | 0.1° |
| C24 | C25 | N93 | H31 | 180.0° | 180.0° |
| C24 | C25 | N93 | C95 | 60.2° | 175.0° |
| C24 | C25 | N93 | H30 | 119.8° | 5.0° |
| C25 | N93 | C95 | SUR | 42.0° | 4.9° |
| C25 | N93 | C95 | H30 | 180.0° | 180.0° |
| C25 | N93 | C95 | N94 | 132.2° | 175.1° |
| N93 | C25 | C24 | H8 | 7.7° | 4.6° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 1.4° | 0.0° |
| C13 | C12 | C17 | C16 | 0.3° | 0.0° |
| C12 | C13 | C14 | H2 | 178.6° | 180.0° |
| C13 | C12 | C17 | H41 | 179.7° | 179.9° |
| C14 | C13 | C12 | C17 | 0.9° | 0.0° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | C18 | 179.5° | 180.0° |
| SUR | C95 | N93 | N94 | 174.2° | 179.9° |
| SUR | C95 | N94 | C27 | 109.5° | 0.1° |
| SUR | C95 | N94 | H29 | 70.5° | 180.0° |
| SUR | C95 | N93 | H30 | 138.0° | 175.1° |
| C12 | C17 | C16 | H41 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 1.2° | 0.0° |
| C17 | C12 | C13 | H1 | 179.1° | 179.7° |
| C12 | C17 | C16 | H3 | 178.8° | 179.9° |
| N93 | C95 | N94 | C27 | 75.9° | 180.0° |
| N93 | C95 | N94 | H29 | 104.1° | 0.1° |
| C95 | N93 | C25 | H31 | 119.8° | 5.1° |
| C47 | C40 | O39 | O48 | 179.4° | 179.9° |
| C47 | C40 | O39 | C38 | 149.7° | 180.0° |
| C40 | C47 | H25 | H26 | 120.0° | 120.0° |
| C40 | C47 | H25 | H27 | 120.0° | 120.0° |
| C40 | C47 | H26 | H27 | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.0° |
| C14 | C15 | C16 | C18 | 180.0° | 180.0° |
| C14 | C15 | C18 | C19 | 32.2° | 0.2° |
| C14 | C15 | C18 | C23 | 149.6° | 180.0° |
| C15 | C14 | C13 | H1 | 178.6° | 179.7° |
| C14 | C15 | C16 | H3 | 179.3° | 179.9° |
| C95 | N94 | C27 | H29 | 180.0° | 179.9° |
| C95 | N94 | C27 | O32 | 74.1° | 94.9° |
| C95 | N94 | C27 | C28 | 168.8° | 145.1° |
| C95 | N94 | C27 | H28 | 50.8° | 25.1° |
| N94 | C95 | N93 | H30 | 47.7° | 4.8° |
| C17 | C16 | C15 | H3 | 180.0° | 179.9° |
| C17 | C16 | C15 | C18 | 179.3° | 180.0° |
| C16 | C15 | C18 | C19 | 147.8° | 179.7° |
| C16 | C15 | C18 | C23 | 30.4° | 0.0° |
| C16 | C15 | C14 | H2 | 179.5° | 180.0° |
| C15 | C16 | C17 | H41 | 178.8° | 179.9° |
| C15 | C18 | C19 | C23 | 178.3° | 179.8° |
| C15 | C18 | C19 | C20 | 178.7° | 179.7° |
| C15 | C18 | C23 | C22 | 179.3° | 180.0° |
| C18 | C15 | C14 | H2 | 0.5° | 0.0° |
| C18 | C15 | C16 | H3 | 0.7° | 0.1° |
| C15 | C18 | C23 | H7 | 0.7° | 0.0° |
| C15 | C18 | C19 | H42 | 1.3° | 0.2° |
| C40 | O39 | C38 | C33 | 110.2° | 180.0° |
| C40 | O39 | C38 | H23 | 10.0° | 60.0° |
| C40 | O39 | C38 | H24 | 129.5° | 60.0° |
| O39 | C40 | C47 | H25 | 179.4° | 90.0° |
| O39 | C40 | C47 | H26 | 60.7° | 150.0° |
| O39 | C40 | C47 | H27 | 59.3° | 30.0° |
| O48 | C40 | O39 | C38 | 30.9° | 0.0° |
| O48 | C40 | C47 | H25 | 0.0° | 90.1° |
| O48 | C40 | C47 | H26 | 120.0° | 30.0° |
| O48 | C40 | C47 | H27 | 120.0° | 150.0° |
| N94 | C27 | O32 | C28 | 115.2° | 120.0° |
| N94 | C27 | O32 | H28 | 124.8° | 120.0° |
| N94 | C27 | C28 | H28 | 118.9° | 120.1° |
| N94 | C27 | O32 | C33 | 174.8° | 178.9° |
| N94 | C27 | C28 | N43 | 80.2° | 62.5° |
| N94 | C27 | C28 | C35 | 148.0° | 177.5° |
| N94 | C27 | C28 | H13 | 33.8° | 57.6° |
| C18 | C19 | C20 | H42 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.9° | 0.1° |
| C19 | C18 | C23 | C22 | 1.0° | 0.3° |
| C18 | C19 | C20 | H4 | 179.1° | 179.8° |
| C19 | C18 | C23 | H7 | 179.0° | 179.7° |
| C20 | C19 | C18 | C23 | 0.4° | 0.0° |
| C19 | C20 | C21 | H4 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 1.6° | 0.2° |
| C19 | C20 | C21 | H5 | 178.4° | 179.8° |
| O39 | C38 | C33 | O32 | 62.6° | 65.0° |
| O39 | C38 | C33 | H23 | 120.2° | 120.0° |
| O39 | C38 | C33 | H24 | 120.3° | 120.1° |
| O39 | C38 | C33 | C34 | 176.0° | 175.0° |
| O39 | C38 | C33 | H22 | 58.0° | 55.0° |
| O39 | C38 | H23 | H24 | 119.2° | 120.0° |
| C45 | C44 | O46 | N43 | 177.9° | 180.0° |
| C45 | C44 | N43 | C28 | 65.5° | 179.9° |
| C45 | C44 | N43 | H14 | 114.5° | 0.0° |
| C44 | C45 | H15 | H16 | 120.0° | 120.0° |
| C44 | C45 | H15 | H17 | 120.0° | 120.1° |
| C44 | C45 | H16 | H17 | 120.0° | 120.1° |
| C18 | C23 | C22 | H7 | 180.0° | 180.0° |
| C18 | C23 | C22 | C21 | 0.3° | 0.5° |
| C18 | C23 | C22 | H6 | 179.7° | 180.0° |
| C23 | C18 | C19 | H42 | 179.6° | 180.0° |
| O46 | C44 | N43 | C28 | 112.6° | 0.0° |
| O46 | C44 | N43 | H14 | 67.4° | 180.0° |
| O46 | C44 | C45 | H15 | 0.0° | 90.0° |
| O46 | C44 | C45 | H16 | 120.0° | 30.0° |
| O46 | C44 | C45 | H17 | 120.0° | 150.0° |
| O32 | C27 | C28 | H28 | 121.1° | 119.9° |
| C27 | O32 | C33 | C38 | 176.2° | 178.8° |
| C27 | O32 | C33 | C34 | 64.0° | 61.2° |
| O32 | C27 | C28 | N43 | 159.7° | 177.5° |
| O32 | C27 | C28 | C35 | 27.9° | 57.5° |
| O32 | C27 | C28 | H13 | 86.3° | 62.4° |
| C27 | O32 | C33 | H22 | 56.6° | 58.8° |
| O32 | C27 | N94 | H29 | 105.9° | 85.0° |
| C28 | C27 | O32 | C33 | 70.0° | 61.2° |
| C27 | C28 | N43 | C44 | 13.5° | 85.3° |
| C27 | C28 | N43 | C35 | 133.7° | 119.7° |
| C27 | C28 | N43 | H13 | 113.6° | 120.2° |
| C27 | C28 | C35 | H13 | 114.2° | 120.0° |
| C27 | C28 | C35 | C34 | 14.8° | 56.9° |
| C27 | C28 | C35 | O36 | 100.3° | 176.9° |
| C27 | C28 | C35 | H12 | 138.8° | 62.9° |
| C27 | C28 | N43 | H14 | 166.5° | 94.7° |
| C28 | C27 | N94 | H29 | 11.2° | 34.9° |
| O32 | C33 | C38 | C34 | 121.4° | 119.9° |
| O32 | C33 | C38 | H22 | 120.6° | 120.0° |
| O32 | C33 | C34 | H22 | 121.3° | 120.1° |
| O32 | C33 | C34 | C35 | 15.0° | 57.6° |
| O32 | C33 | C34 | O41 | 137.3° | 177.5° |
| O32 | C33 | C34 | H18 | 103.7° | 62.3° |
| O32 | C33 | C38 | H23 | 57.7° | 174.9° |
| O32 | C33 | C38 | H24 | 177.2° | 55.0° |
| C33 | O32 | C27 | H28 | 50.0° | 58.8° |
| C44 | N43 | C28 | H14 | 180.0° | 179.9° |
| C44 | N43 | C28 | C35 | 147.1° | 155.0° |
| C44 | N43 | C28 | H13 | 100.2° | 34.9° |
| N43 | C44 | C45 | H15 | 178.1° | 90.0° |
| N43 | C44 | C45 | H16 | 61.8° | 150.0° |
| N43 | C44 | C45 | H17 | 58.1° | 30.0° |
| C20 | C21 | C22 | C23 | 1.1° | 0.5° |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C20 | C21 | C22 | H6 | 178.9° | 179.9° |
| C21 | C20 | C19 | H42 | 179.1° | 180.0° |
| C38 | C33 | C34 | H22 | 117.8° | 120.0° |
| C38 | C33 | C34 | C35 | 135.8° | 177.6° |
| C38 | C33 | C34 | O41 | 101.9° | 62.5° |
| C38 | C33 | C34 | H18 | 17.1° | 57.6° |
| C33 | C38 | H23 | H24 | 119.2° | 119.9° |
| C33 | C34 | C35 | C28 | 21.5° | 56.9° |
| C33 | C34 | C35 | O41 | 126.8° | 119.9° |
| C33 | C34 | C35 | H18 | 118.6° | 120.0° |
| C33 | C34 | O41 | H18 | 118.2° | 120.2° |
| C33 | C34 | C35 | O36 | 97.5° | 176.9° |
| C33 | C34 | O41 | C42 | 107.2° | 90.3° |
| C33 | C34 | C35 | H12 | 145.4° | 62.9° |
| C34 | C33 | C38 | H23 | 63.8° | 55.0° |
| C34 | C33 | C38 | H24 | 55.7° | 64.9° |
| C23 | C22 | C21 | H6 | 180.0° | 179.4° |
| C23 | C22 | C21 | H5 | 178.9° | 179.5° |
| N43 | C28 | C35 | H13 | 113.1° | 120.1° |
| N43 | C28 | C35 | C34 | 117.9° | 176.9° |
| N43 | C28 | C35 | O36 | 126.9° | 63.2° |
| N43 | C28 | C35 | H12 | 6.1° | 57.0° |
| N43 | C28 | C27 | H28 | 38.6° | 57.5° |
| C28 | C35 | C34 | O36 | 119.0° | 119.9° |
| C28 | C35 | C34 | H12 | 123.9° | 119.9° |
| C28 | C35 | C34 | O41 | 105.3° | 176.8° |
| C28 | C35 | O36 | H12 | 119.8° | 120.2° |
| C28 | C35 | O36 | C37 | 124.6° | 150.2° |
| C35 | C28 | N43 | H14 | 32.9° | 25.1° |
| C28 | C35 | C34 | H18 | 140.1° | 63.1° |
| C35 | C28 | C27 | H28 | 93.2° | 62.4° |
| C22 | C21 | C20 | H4 | 178.4° | 180.0° |
| C21 | C22 | C23 | H7 | 179.7° | 179.5° |
| C35 | C34 | O41 | H18 | 113.7° | 120.2° |
| C34 | C35 | O36 | H12 | 116.1° | 120.2° |
| C35 | C34 | O41 | C42 | 124.6° | 150.0° |
| C34 | C35 | O36 | C37 | 111.2° | 90.1° |
| C34 | C35 | C28 | H13 | 129.0° | 63.0° |
| C35 | C34 | C33 | H22 | 106.3° | 62.4° |
| O41 | C34 | C35 | O36 | 135.6° | 63.3° |
| C34 | O41 | C42 | C49 | 96.3° | 180.0° |
| C34 | O41 | C42 | O50 | 83.0° | 0.0° |
| O41 | C34 | C35 | H12 | 18.5° | 56.9° |
| O41 | C34 | C33 | H22 | 16.0° | 57.5° |
| C35 | O36 | C37 | O52 | 151.0° | 0.1° |
| C35 | O36 | C37 | C51 | 31.2° | 180.0° |
| O36 | C35 | C28 | H13 | 13.9° | 56.9° |
| O36 | C35 | C34 | H18 | 21.1° | 56.9° |
| O41 | C42 | C49 | O50 | 179.2° | 180.0° |
| C42 | O41 | C34 | H18 | 10.9° | 29.9° |
| O41 | C42 | C49 | H19 | 179.2° | 90.0° |
| O41 | C42 | C49 | H20 | 59.2° | 150.0° |
| O41 | C42 | C49 | H21 | 60.8° | 30.0° |
| O36 | C37 | O52 | C51 | 177.8° | 179.9° |
| O36 | C37 | C51 | H9 | 177.6° | 180.0° |
| O36 | C37 | C51 | H10 | 62.4° | 59.9° |
| O36 | C37 | C51 | H11 | 57.6° | 60.0° |
| C37 | O36 | C35 | H12 | 4.8° | 30.0° |
| C42 | C49 | H19 | H20 | 120.0° | 120.0° |
| C42 | C49 | H19 | H21 | 120.0° | 120.0° |
| C42 | C49 | H20 | H21 | 120.0° | 120.0° |
| O50 | C42 | C49 | H19 | 0.0° | 90.0° |
| O50 | C42 | C49 | H20 | 120.0° | 30.0° |
| O50 | C42 | C49 | H21 | 120.0° | 150.0° |
| O52 | C37 | C51 | H9 | 0.0° | 0.1° |
| O52 | C37 | C51 | H10 | 120.0° | 120.0° |
| O52 | C37 | C51 | H11 | 120.0° | 120.1° |
| C37 | C51 | H9 | H10 | 120.0° | 120.0° |
| C37 | C51 | H9 | H11 | 120.0° | 120.0° |
| C37 | C51 | H10 | H11 | 120.0° | 119.9° |
| H1 | C13 | C14 | H2 | 1.4° | 0.3° |
| H3 | C16 | C17 | H41 | 1.2° | 0.0° |
| H4 | C20 | C21 | H5 | 1.6° | 0.1° |
| H4 | C20 | C19 | H42 | 0.9° | 0.2° |
| H5 | C21 | C22 | H6 | 1.1° | 0.0° |
| H6 | C22 | C23 | H7 | 0.3° | 0.0° |
| H8 | C24 | C25 | H31 | 172.3° | 175.5° |
| H9 | C51 | H10 | H11 | 120.0° | 120.1° |
| H12 | C35 | C28 | H13 | 107.0° | 177.1° |
| H12 | C35 | C34 | H18 | 96.0° | 177.1° |
| H13 | C28 | N43 | H14 | 79.8° | 145.1° |
| H13 | C28 | C27 | H28 | 152.6° | 177.7° |
| H15 | C45 | H16 | H17 | 120.0° | 119.9° |
| H18 | C34 | C33 | H22 | 134.9° | 177.6° |
| H19 | C49 | H20 | H21 | 120.0° | 120.0° |
| H22 | C33 | C38 | H23 | 178.3° | 65.0° |
| H22 | C33 | C38 | H24 | 62.2° | 175.1° |
| H25 | C47 | H26 | H27 | 120.0° | 119.9° |
| H28 | C27 | N94 | H29 | 129.1° | 155.0° |
| H30 | N93 | C25 | H31 | 60.2° | 175.0° |
| H32 | CZA | CZ1 | H33 | 165.2° | 43.7° |
| H33 | CZ1 | CC1 | H34 | 65.1° | 40.6° |
| H33 | CZ1 | CC1 | H35 | 174.9° | 79.3° |
| H33 | CZ1 | CC1 | H36 | 54.9° | 160.7° |
| H33 | CZ1 | CC2 | H37 | 65.1° | 60.0° |
| H33 | CZ1 | CC2 | H38 | 54.8° | 60.0° |
| H33 | CZ1 | CC2 | H39 | 174.8° | 180.0° |
| H34 | CC1 | H35 | H36 | 120.0° | 120.0° |
| H37 | CC2 | H38 | H39 | 120.0° | 120.0° |
