6AK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C22 | sing | 1.74Å | 1.71Å | |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | O01 | sing | 1.36Å | 1.35Å | |
| O01 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | doub | 1.36Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.50Å | |
| CL | C03 | sing | 1.74Å | 1.72Å | |
| C03 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.42Å | 1.42Å | Aromatic |
| C06 | C01 | doub | 1.41Å | 1.41Å | Aromatic |
| C07 | C11 | doub | 1.35Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.43Å | Aromatic |
| C01 | N02 | sing | 1.37Å | 1.37Å | Aromatic |
| C02 | C19 | sing | 1.48Å | 1.46Å | |
| C11 | N02 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.45Å | |
| O02 | C12 | doub | 1.22Å | 1.24Å | |
| N02 | C14 | sing | 1.46Å | 1.48Å | |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C19 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | N01 | sing | 1.36Å | 1.42Å | |
| C20 | N04 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | N03 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N01 | C13 | sing | 1.45Å | 1.46Å | |
| N01 | C34 | sing | 1.40Å | 1.42Å | |
| N04 | N03 | sing | 1.40Å | 1.36Å | Aromatic |
| N03 | C16 | sing | 1.47Å | 1.45Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C35 | sing | 1.40Å | 1.43Å | Aromatic |
| C33 | C31 | sing | 1.40Å | 1.37Å | Aromatic |
| C39 | C35 | sing | 1.46Å | 1.44Å | Aromatic |
| C39 | C38 | doub | 1.34Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.47Å | 1.47Å | |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| O03 | C32 | doub | 1.22Å | 1.22Å | |
| C38 | N05 | sing | 1.37Å | 1.37Å | Aromatic |
| C32 | O04 | sing | 1.35Å | 1.34Å | |
| C36 | C30 | sing | 1.39Å | 1.43Å | Aromatic |
| C36 | N05 | sing | 1.38Å | 1.40Å | Aromatic |
| N05 | C37 | sing | 1.47Å | 1.45Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| O04 | H33 | sing | 0.97Å | 0.95Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C22 | C23 | 119.2° | 120.0° |
| CL2 | C22 | C28 | 117.2° | 120.0° |
| C24 | C23 | C22 | 121.5° | 119.9° |
| C24 | C23 | C25 | 120.9° | 120.0° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H25 | 109.5° | 109.4° |
| C23 | C24 | H26 | 109.5° | 109.5° |
| C22 | C23 | C25 | 117.6° | 120.1° |
| C23 | C22 | C28 | 123.6° | 120.0° |
| C23 | C25 | C26 | 120.7° | 120.0° |
| C23 | C25 | H27 | 119.6° | 120.0° |
| C22 | C28 | C29 | 119.7° | 119.9° |
| C22 | C28 | C27 | 117.1° | 120.0° |
| C29 | C28 | C27 | 123.3° | 120.0° |
| C28 | C29 | H29 | 109.5° | 109.4° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C25 | C26 | C27 | 120.9° | 119.9° |
| C25 | C26 | O01 | 122.1° | 120.0° |
| C26 | C25 | H27 | 119.6° | 120.0° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C28 | C27 | H28 | 119.9° | 120.0° |
| C27 | C26 | O01 | 117.0° | 120.1° |
| C26 | C27 | H28 | 119.9° | 120.0° |
| C26 | O01 | C10 | 120.3° | 117.0° |
| O01 | C10 | C09 | 105.8° | 109.4° |
| O01 | C10 | H3 | 110.4° | 109.5° |
| O01 | C10 | H4 | 110.4° | 109.4° |
| C10 | C09 | C08 | 110.6° | 109.4° |
| C09 | C10 | H3 | 110.4° | 109.5° |
| C09 | C10 | H4 | 110.4° | 109.5° |
| C10 | C09 | H11 | 109.2° | 109.5° |
| C10 | C09 | H12 | 109.2° | 109.5° |
| C09 | C08 | C07 | 111.9° | 109.4° |
| C09 | C08 | H9 | 108.9° | 109.5° |
| C09 | C08 | H10 | 108.9° | 109.4° |
| C08 | C09 | H11 | 109.2° | 109.4° |
| C08 | C09 | H12 | 109.2° | 109.5° |
| C05 | C04 | C03 | 119.3° | 120.7° |
| C04 | C05 | C06 | 119.6° | 120.2° |
| C05 | C04 | H7 | 120.3° | 119.7° |
| C04 | C05 | H8 | 120.2° | 120.0° |
| C04 | C03 | CL | 118.1° | 119.7° |
| C04 | C03 | C02 | 123.4° | 120.5° |
| C03 | C04 | H7 | 120.4° | 119.6° |
| C05 | C06 | C07 | 131.6° | 133.2° |
| C05 | C06 | C01 | 120.0° | 119.7° |
| C06 | C05 | H8 | 120.2° | 119.9° |
| C08 | C07 | C06 | 124.8° | 126.3° |
| C08 | C07 | C11 | 128.7° | 126.3° |
| C07 | C08 | H9 | 108.9° | 109.5° |
| C07 | C08 | H10 | 108.9° | 109.4° |
| CL | C03 | C02 | 118.6° | 119.7° |
| C03 | C02 | C01 | 116.0° | 119.6° |
| C03 | C02 | C19 | 119.4° | 120.2° |
| C07 | C06 | C01 | 108.5° | 107.1° |
| C06 | C07 | C11 | 106.4° | 107.4° |
| C06 | C01 | C02 | 121.7° | 119.3° |
| C06 | C01 | N02 | 105.8° | 107.4° |
| C07 | C11 | N02 | 108.3° | 109.7° |
| C07 | C11 | C12 | 131.3° | 129.0° |
| C02 | C01 | N02 | 132.5° | 133.3° |
| C01 | C02 | C19 | 124.6° | 120.1° |
| C01 | N02 | C11 | 110.7° | 108.4° |
| C01 | N02 | C14 | 125.3° | 127.9° |
| C02 | C19 | C20 | 134.7° | 126.2° |
| C02 | C19 | C17 | 119.9° | 126.2° |
| N02 | C11 | C12 | 120.2° | 121.3° |
| C11 | N02 | C14 | 123.9° | 123.7° |
| C11 | C12 | O02 | 121.7° | 122.3° |
| C11 | C12 | N01 | 115.1° | 115.5° |
| O02 | C12 | N01 | 123.3° | 122.2° |
| N02 | C14 | C15 | 116.9° | 109.8° |
| N02 | C14 | H1 | 107.6° | 109.4° |
| N02 | C14 | H2 | 107.6° | 109.4° |
| C21 | C20 | C19 | 127.5° | 126.0° |
| C21 | C20 | N04 | 121.8° | 125.9° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C20 | C21 | H23 | 109.4° | 109.5° |
| C20 | C19 | C17 | 105.5° | 107.6° |
| C19 | C20 | N04 | 110.7° | 108.1° |
| C19 | C17 | C18 | 133.5° | 126.2° |
| C19 | C17 | N03 | 105.8° | 107.6° |
| C12 | N01 | C13 | 125.9° | 119.4° |
| C12 | N01 | C34 | 118.1° | 120.3° |
| C20 | N04 | N03 | 104.4° | 108.5° |
| C18 | C17 | N03 | 120.7° | 126.2° |
| C17 | C18 | H18 | 109.5° | 109.4° |
| C17 | C18 | H19 | 109.5° | 109.4° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | N03 | N04 | 113.6° | 108.2° |
| C17 | N03 | C16 | 124.1° | 125.9° |
| C14 | C15 | C13 | 106.4° | 109.8° |
| C15 | C14 | H1 | 107.6° | 109.4° |
| C15 | C14 | H2 | 107.6° | 109.4° |
| C14 | C15 | H13 | 110.2° | 109.4° |
| C14 | C15 | H14 | 110.2° | 109.4° |
| C13 | N01 | C34 | 116.0° | 120.3° |
| N01 | C13 | C15 | 117.3° | 113.4° |
| N01 | C13 | H5 | 107.5° | 108.7° |
| N01 | C13 | H6 | 107.5° | 108.6° |
| N01 | C34 | C33 | 110.5° | 120.1° |
| N01 | C34 | C35 | 130.3° | 120.1° |
| N04 | N03 | C16 | 122.3° | 125.9° |
| N03 | C16 | H15 | 109.5° | 109.5° |
| N03 | C16 | H16 | 109.5° | 109.4° |
| N03 | C16 | H17 | 109.5° | 109.5° |
| C15 | C13 | H5 | 107.5° | 108.6° |
| C15 | C13 | H6 | 107.5° | 108.7° |
| C13 | C15 | H13 | 110.3° | 109.4° |
| C13 | C15 | H14 | 110.2° | 109.4° |
| C33 | C34 | C35 | 119.2° | 119.7° |
| C34 | C33 | C31 | 122.5° | 120.1° |
| C34 | C33 | H34 | 118.7° | 119.9° |
| C34 | C35 | C39 | 137.5° | 133.7° |
| C34 | C35 | C36 | 117.1° | 120.2° |
| C33 | C31 | C32 | 117.6° | 119.8° |
| C33 | C31 | C30 | 119.9° | 120.4° |
| C31 | C33 | H34 | 118.8° | 119.9° |
| C35 | C39 | C38 | 110.0° | 107.0° |
| C39 | C35 | C36 | 105.4° | 106.1° |
| C35 | C39 | H39 | 125.0° | 126.5° |
| C39 | C38 | N05 | 106.0° | 109.9° |
| C39 | C38 | H38 | 127.0° | 125.1° |
| C38 | C39 | H39 | 125.0° | 126.4° |
| C35 | C36 | C30 | 122.9° | 119.6° |
| C35 | C36 | N05 | 106.9° | 107.1° |
| C32 | C31 | C30 | 122.5° | 119.8° |
| C31 | C32 | O03 | 126.5° | 120.0° |
| C31 | C32 | O04 | 110.6° | 120.0° |
| C31 | C30 | C36 | 118.4° | 119.9° |
| C31 | C30 | H32 | 120.8° | 120.1° |
| O03 | C32 | O04 | 122.9° | 120.0° |
| C38 | N05 | C36 | 111.7° | 109.9° |
| C38 | N05 | C37 | 125.2° | 125.1° |
| N05 | C38 | H38 | 127.0° | 125.0° |
| C32 | O04 | H33 | 109.5° | 117.0° |
| C30 | C36 | N05 | 130.2° | 133.2° |
| C36 | C30 | H32 | 120.8° | 120.0° |
| C36 | N05 | C37 | 123.2° | 125.0° |
| N05 | C37 | H35 | 109.5° | 109.5° |
| N05 | C37 | H36 | 109.4° | 109.5° |
| N05 | C37 | H37 | 109.5° | 109.5° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 108.7° |
| H9 | C08 | H10 | 109.4° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.4° | 109.3° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.4° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H21 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.4° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H24 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.4° | 109.5° |
| H29 | C29 | H30 | 109.4° | 109.5° |
| H29 | C29 | H31 | 109.5° | 109.4° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.4° |
| H35 | C37 | H37 | 109.4° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C22 | C23 | C24 | 0.2° | 0.3° |
| CL2 | C22 | C23 | C28 | 179.9° | 179.7° |
| CL2 | C22 | C23 | C25 | 179.6° | 179.7° |
| CL2 | C22 | C28 | C29 | 0.6° | 0.0° |
| CL2 | C22 | C28 | C27 | 179.6° | 179.8° |
| C24 | C23 | C22 | C25 | 179.4° | 180.0° |
| C24 | C23 | C22 | C28 | 179.7° | 180.0° |
| C24 | C23 | C25 | C26 | 179.6° | 180.0° |
| C23 | C24 | H24 | H25 | 120.0° | 120.0° |
| C23 | C24 | H24 | H26 | 120.0° | 120.0° |
| C23 | C24 | H25 | H26 | 120.0° | 120.0° |
| C24 | C23 | C25 | H27 | 0.4° | 0.1° |
| C23 | C22 | C28 | C29 | 179.4° | 179.7° |
| C22 | C23 | C25 | C26 | 0.3° | 0.0° |
| C23 | C22 | C28 | C27 | 0.3° | 0.0° |
| C22 | C23 | C24 | H24 | 90.3° | 90.0° |
| C22 | C23 | C24 | H25 | 149.6° | 150.0° |
| C22 | C23 | C24 | H26 | 29.7° | 30.0° |
| C22 | C23 | C25 | H27 | 179.7° | 180.0° |
| C25 | C23 | C22 | C28 | 0.4° | 0.0° |
| C23 | C25 | C26 | H27 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 0.1° | 0.0° |
| C23 | C25 | C26 | O01 | 179.8° | 179.9° |
| C25 | C23 | C24 | H24 | 90.3° | 89.9° |
| C25 | C23 | C24 | H25 | 29.7° | 30.0° |
| C25 | C23 | C24 | H26 | 149.7° | 150.0° |
| C22 | C28 | C29 | C27 | 179.8° | 179.7° |
| C22 | C28 | C27 | C26 | 0.2° | 0.1° |
| C22 | C28 | C27 | H28 | 179.8° | 180.0° |
| C22 | C28 | C29 | H29 | 90.1° | 90.0° |
| C22 | C28 | C29 | H30 | 149.9° | 150.0° |
| C22 | C28 | C29 | H31 | 29.9° | 29.9° |
| C29 | C28 | C27 | C26 | 179.6° | 179.7° |
| C29 | C28 | C27 | H28 | 0.4° | 0.3° |
| C28 | C29 | H29 | H30 | 120.0° | 120.0° |
| C28 | C29 | H29 | H31 | 120.0° | 120.0° |
| C28 | C29 | H30 | H31 | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | O01 | 179.7° | 179.9° |
| C25 | C26 | O01 | C10 | 165.2° | 180.0° |
| C25 | C26 | C27 | H28 | 179.9° | 180.0° |
| C28 | C27 | C26 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | O01 | 179.8° | 180.0° |
| C27 | C28 | C29 | H29 | 90.1° | 90.3° |
| C27 | C28 | C29 | H30 | 29.9° | 29.7° |
| C27 | C28 | C29 | H31 | 149.8° | 149.8° |
| C27 | C26 | O01 | C10 | 15.1° | 0.1° |
| C27 | C26 | C25 | H27 | 179.9° | 179.9° |
| C26 | O01 | C10 | C09 | 171.6° | 180.0° |
| C26 | O01 | C10 | H3 | 52.2° | 60.1° |
| C26 | O01 | C10 | H4 | 69.0° | 60.0° |
| O01 | C26 | C25 | H27 | 0.2° | 0.0° |
| O01 | C26 | C27 | H28 | 0.2° | 0.1° |
| O01 | C10 | C09 | H3 | 119.4° | 120.0° |
| O01 | C10 | C09 | H4 | 119.4° | 120.0° |
| O01 | C10 | C09 | C08 | 63.1° | 180.0° |
| O01 | C10 | H3 | H4 | 121.7° | 120.0° |
| O01 | C10 | C09 | H11 | 57.1° | 60.0° |
| O01 | C10 | C09 | H12 | 176.8° | 60.0° |
| C10 | C09 | C08 | H11 | 120.2° | 119.9° |
| C10 | C09 | C08 | H12 | 120.1° | 120.0° |
| C10 | C09 | C08 | C07 | 72.8° | 180.0° |
| C09 | C10 | H3 | H4 | 121.7° | 120.0° |
| C10 | C09 | C08 | H9 | 47.5° | 60.0° |
| C10 | C09 | C08 | H10 | 166.8° | 60.1° |
| C10 | C09 | H11 | H12 | 119.5° | 120.0° |
| C09 | C08 | C07 | H9 | 120.4° | 120.1° |
| C09 | C08 | C07 | H10 | 120.4° | 119.9° |
| C09 | C08 | C07 | C06 | 97.1° | 89.9° |
| C09 | C08 | C07 | C11 | 85.3° | 90.0° |
| C08 | C09 | C10 | H3 | 177.5° | 60.0° |
| C08 | C09 | C10 | H4 | 56.3° | 60.1° |
| C09 | C08 | H9 | H10 | 118.9° | 120.0° |
| C08 | C09 | H11 | H12 | 119.5° | 120.0° |
| C05 | C04 | C03 | H7 | 180.0° | 179.9° |
| C04 | C05 | C06 | H8 | 180.0° | 180.0° |
| C05 | C04 | C03 | CL | 179.5° | 180.0° |
| C05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C04 | C05 | C06 | C07 | 179.7° | 179.8° |
| C04 | C05 | C06 | C01 | 0.4° | 0.1° |
| C03 | C04 | C05 | C06 | 0.6° | 0.1° |
| C04 | C03 | CL | C02 | 178.9° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.1° |
| C04 | C03 | C02 | C19 | 179.4° | 179.9° |
| C03 | C04 | C05 | H8 | 179.4° | 179.9° |
| C05 | C06 | C07 | C08 | 0.7° | 0.2° |
| C05 | C06 | C07 | C01 | 179.9° | 180.0° |
| C05 | C06 | C07 | C11 | 177.4° | 179.8° |
| C05 | C06 | C01 | C02 | 0.3° | 0.0° |
| C05 | C06 | C01 | N02 | 179.4° | 179.9° |
| C06 | C05 | C04 | H7 | 179.4° | 179.8° |
| C08 | C07 | C06 | C11 | 178.1° | 180.0° |
| C08 | C07 | C06 | C01 | 179.4° | 179.8° |
| C08 | C07 | C11 | N02 | 177.3° | 179.8° |
| C08 | C07 | C11 | C12 | 1.6° | 0.3° |
| C07 | C08 | H9 | H10 | 118.9° | 120.0° |
| C07 | C08 | C09 | H11 | 167.0° | 60.1° |
| C07 | C08 | C09 | H12 | 47.3° | 59.9° |
| CL | C03 | C02 | C01 | 179.4° | 179.9° |
| CL | C03 | C02 | C19 | 0.5° | 0.1° |
| CL | C03 | C04 | H7 | 0.5° | 0.1° |
| C03 | C02 | C01 | C06 | 0.3° | 0.1° |
| C03 | C02 | C01 | C19 | 179.9° | 180.0° |
| C03 | C02 | C01 | N02 | 179.2° | 179.7° |
| C03 | C02 | C19 | C20 | 84.6° | 90.0° |
| C03 | C02 | C19 | C17 | 97.2° | 89.9° |
| C02 | C03 | C04 | H7 | 179.3° | 180.0° |
| C07 | C06 | C01 | C02 | 179.8° | 179.9° |
| C07 | C06 | C01 | N02 | 0.6° | 0.1° |
| C06 | C07 | C11 | N02 | 4.8° | 0.2° |
| C06 | C07 | C11 | C12 | 179.5° | 179.8° |
| C07 | C06 | C05 | H8 | 0.3° | 0.2° |
| C06 | C07 | C08 | H9 | 23.3° | 150.0° |
| C06 | C07 | C08 | H10 | 142.5° | 30.0° |
| C01 | C06 | C07 | C11 | 2.5° | 0.2° |
| C06 | C01 | C02 | N02 | 178.9° | 179.8° |
| C06 | C01 | C02 | C19 | 179.6° | 179.9° |
| C06 | C01 | N02 | C11 | 3.7° | 0.0° |
| C06 | C01 | N02 | C14 | 172.3° | 179.8° |
| C01 | C06 | C05 | H8 | 179.6° | 179.8° |
| C07 | C11 | N02 | C01 | 5.4° | 0.1° |
| C07 | C11 | N02 | C12 | 176.3° | 180.0° |
| C07 | C11 | C12 | O02 | 39.5° | 43.3° |
| C07 | C11 | N02 | C14 | 170.6° | 179.9° |
| C07 | C11 | C12 | N01 | 141.3° | 136.7° |
| C11 | C07 | C08 | H9 | 154.3° | 30.1° |
| C11 | C07 | C08 | H10 | 35.1° | 150.1° |
| C02 | C01 | N02 | C11 | 177.3° | 179.8° |
| C02 | C01 | N02 | C14 | 6.8° | 0.1° |
| C01 | C02 | C19 | C20 | 95.3° | 90.0° |
| C01 | C02 | C19 | C17 | 82.9° | 90.1° |
| N02 | C01 | C02 | C19 | 0.7° | 0.3° |
| C01 | N02 | C11 | C14 | 176.0° | 179.8° |
| C01 | N02 | C11 | C12 | 178.3° | 179.8° |
| C01 | N02 | C14 | C15 | 108.5° | 108.2° |
| C01 | N02 | C14 | H1 | 130.4° | 131.8° |
| C01 | N02 | C14 | H2 | 12.6° | 11.9° |
| C02 | C19 | C20 | C21 | 1.5° | 0.1° |
| C02 | C19 | C20 | C17 | 178.3° | 179.9° |
| C02 | C19 | C20 | N04 | 179.1° | 179.7° |
| C02 | C19 | C17 | C18 | 0.6° | 0.1° |
| C02 | C19 | C17 | N03 | 179.4° | 179.9° |
| N02 | C11 | C12 | O02 | 135.7° | 136.8° |
| N02 | C11 | C12 | N01 | 43.4° | 43.3° |
| C11 | N02 | C14 | C15 | 76.0° | 71.5° |
| C11 | N02 | C14 | H1 | 45.0° | 48.5° |
| C11 | N02 | C14 | H2 | 162.9° | 168.4° |
| C11 | C12 | O02 | N01 | 179.1° | 180.0° |
| C12 | C11 | N02 | C14 | 5.6° | 0.1° |
| C11 | C12 | N01 | C13 | 0.0° | 13.9° |
| C11 | C12 | N01 | C34 | 177.7° | 166.1° |
| O02 | C12 | N01 | C13 | 179.2° | 166.1° |
| O02 | C12 | N01 | C34 | 1.4° | 14.0° |
| N02 | C14 | C15 | H1 | 121.1° | 120.0° |
| N02 | C14 | C15 | H2 | 121.1° | 120.1° |
| N02 | C14 | C15 | C13 | 38.9° | 42.4° |
| N02 | C14 | H1 | H2 | 116.6° | 119.9° |
| N02 | C14 | C15 | H13 | 158.5° | 162.5° |
| N02 | C14 | C15 | H14 | 80.6° | 77.7° |
| C21 | C20 | C19 | N04 | 179.4° | 179.8° |
| C21 | C20 | C19 | C17 | 179.8° | 180.0° |
| C21 | C20 | N04 | N03 | 179.9° | 179.9° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H23 | 120.0° | 120.0° |
| C20 | C21 | H22 | H23 | 120.0° | 120.0° |
| C20 | C19 | C17 | C18 | 179.2° | 180.0° |
| C20 | C19 | C17 | N03 | 0.8° | 0.0° |
| C19 | C20 | N04 | N03 | 0.4° | 0.3° |
| C19 | C20 | C21 | H21 | 179.3° | 90.0° |
| C19 | C20 | C21 | H22 | 60.6° | 149.9° |
| C19 | C20 | C21 | H23 | 59.4° | 30.0° |
| C17 | C19 | C20 | N04 | 0.7° | 0.2° |
| C19 | C17 | C18 | N03 | 180.0° | 180.0° |
| C19 | C17 | N03 | N04 | 0.6° | 0.2° |
| C19 | C17 | N03 | C16 | 179.7° | 179.9° |
| C19 | C17 | C18 | H18 | 90.0° | 90.0° |
| C19 | C17 | C18 | H19 | 150.0° | 29.9° |
| C19 | C17 | C18 | H20 | 30.0° | 150.0° |
| C12 | N01 | C13 | C34 | 177.8° | 180.0° |
| C12 | N01 | C13 | C15 | 72.6° | 85.5° |
| C12 | N01 | C34 | C33 | 68.3° | 90.0° |
| C12 | N01 | C34 | C35 | 112.1° | 90.1° |
| C12 | N01 | C13 | H5 | 48.6° | 35.5° |
| C12 | N01 | C13 | H6 | 166.3° | 153.6° |
| C20 | N04 | N03 | C17 | 0.1° | 0.4° |
| C20 | N04 | N03 | C16 | 179.8° | 179.8° |
| N04 | C20 | C21 | H21 | 0.0° | 89.7° |
| N04 | C20 | C21 | H22 | 120.0° | 30.3° |
| N04 | C20 | C21 | H23 | 120.0° | 150.2° |
| C18 | C17 | N03 | N04 | 179.4° | 179.8° |
| C18 | C17 | N03 | C16 | 0.3° | 0.1° |
| C17 | C18 | H18 | H19 | 120.0° | 119.9° |
| C17 | C18 | H18 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C17 | N03 | N04 | C16 | 179.7° | 179.8° |
| C17 | N03 | C16 | H15 | 179.6° | 89.9° |
| C17 | N03 | C16 | H16 | 60.4° | 150.0° |
| C17 | N03 | C16 | H17 | 59.7° | 30.1° |
| N03 | C17 | C18 | H18 | 90.0° | 90.0° |
| N03 | C17 | C18 | H19 | 30.0° | 150.1° |
| N03 | C17 | C18 | H20 | 150.0° | 30.0° |
| C14 | C15 | C13 | N01 | 43.4° | 44.5° |
| C14 | C15 | C13 | H13 | 119.6° | 120.1° |
| C14 | C15 | C13 | H14 | 119.5° | 120.1° |
| C15 | C14 | H1 | H2 | 116.6° | 119.9° |
| C14 | C15 | C13 | H5 | 77.7° | 76.5° |
| C14 | C15 | C13 | H6 | 164.5° | 165.4° |
| C14 | C15 | H13 | H14 | 121.4° | 119.8° |
| N01 | C13 | C15 | H5 | 121.2° | 121.0° |
| N01 | C13 | C15 | H6 | 121.1° | 120.9° |
| C13 | N01 | C34 | C33 | 109.7° | 90.0° |
| C13 | N01 | C34 | C35 | 69.9° | 90.0° |
| N01 | C13 | H5 | H6 | 116.4° | 118.1° |
| N01 | C13 | C15 | H13 | 76.1° | 75.7° |
| N01 | C13 | C15 | H14 | 163.0° | 164.5° |
| C34 | N01 | C13 | C15 | 105.2° | 94.5° |
| N01 | C34 | C33 | C35 | 179.6° | 180.0° |
| N01 | C34 | C33 | C31 | 179.6° | 180.0° |
| N01 | C34 | C35 | C39 | 0.3° | 0.0° |
| N01 | C34 | C35 | C36 | 179.8° | 179.8° |
| C34 | N01 | C13 | H5 | 133.6° | 144.6° |
| C34 | N01 | C13 | H6 | 15.9° | 26.5° |
| N01 | C34 | C33 | H34 | 0.4° | 0.0° |
| N04 | N03 | C16 | H15 | 0.0° | 90.3° |
| N04 | N03 | C16 | H16 | 120.0° | 29.8° |
| N04 | N03 | C16 | H17 | 120.0° | 149.8° |
| N03 | C16 | H15 | H16 | 120.0° | 120.0° |
| N03 | C16 | H15 | H17 | 120.0° | 120.0° |
| N03 | C16 | H16 | H17 | 120.0° | 119.9° |
| C13 | C15 | C14 | H1 | 82.2° | 77.6° |
| C13 | C15 | C14 | H2 | 160.0° | 162.5° |
| C15 | C13 | H5 | H6 | 116.4° | 118.1° |
| C13 | C15 | H13 | H14 | 121.4° | 119.8° |
| C34 | C33 | C31 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C39 | 179.8° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.3° |
| C34 | C33 | C31 | C32 | 179.3° | 180.0° |
| C34 | C33 | C31 | C30 | 0.5° | 0.0° |
| C35 | C34 | C33 | C31 | 0.0° | 0.0° |
| C34 | C35 | C39 | C36 | 179.9° | 179.8° |
| C34 | C35 | C39 | C38 | 179.8° | 179.9° |
| C34 | C35 | C36 | C30 | 0.1° | 0.5° |
| C34 | C35 | C36 | N05 | 179.9° | 180.0° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C34 | C35 | C39 | H39 | 0.2° | 0.0° |
| C33 | C31 | C32 | C30 | 178.8° | 180.0° |
| C33 | C31 | C32 | O03 | 17.9° | 0.0° |
| C33 | C31 | C32 | O04 | 160.7° | 180.0° |
| C33 | C31 | C30 | C36 | 0.6° | 0.3° |
| C33 | C31 | C30 | H32 | 179.4° | 180.0° |
| C35 | C39 | C38 | H39 | 180.0° | 179.9° |
| C35 | C39 | C38 | N05 | 0.1° | 0.3° |
| C39 | C35 | C36 | C30 | 179.9° | 179.7° |
| C39 | C35 | C36 | N05 | 0.0° | 0.2° |
| C35 | C39 | C38 | H38 | 179.9° | 179.9° |
| C38 | C39 | C35 | C36 | 0.1° | 0.3° |
| C39 | C38 | N05 | H38 | 180.0° | 179.8° |
| C39 | C38 | N05 | C36 | 0.1° | 0.2° |
| C39 | C38 | N05 | C37 | 180.0° | 179.8° |
| C35 | C36 | C30 | C31 | 0.3° | 0.5° |
| C35 | C36 | N05 | C38 | 0.0° | 0.0° |
| C35 | C36 | C30 | N05 | 180.0° | 179.4° |
| C35 | C36 | N05 | C37 | 180.0° | 180.0° |
| C35 | C36 | C30 | H32 | 179.6° | 179.7° |
| C36 | C35 | C39 | H39 | 179.9° | 179.8° |
| C31 | C32 | O03 | O04 | 178.4° | 180.0° |
| C32 | C31 | C30 | C36 | 179.4° | 179.7° |
| C32 | C31 | C30 | H32 | 0.5° | 0.0° |
| C31 | C32 | O04 | H33 | 178.6° | 180.0° |
| C32 | C31 | C33 | H34 | 0.6° | 0.0° |
| C30 | C31 | C32 | O03 | 163.3° | 180.0° |
| C30 | C31 | C32 | O04 | 18.2° | 0.0° |
| C31 | C30 | C36 | H32 | 180.0° | 179.8° |
| C31 | C30 | C36 | N05 | 179.6° | 179.9° |
| C30 | C31 | C33 | H34 | 179.5° | 180.0° |
| O03 | C32 | O04 | H33 | 0.0° | 0.1° |
| C38 | N05 | C36 | C30 | 180.0° | 179.4° |
| C38 | N05 | C36 | C37 | 179.9° | 180.0° |
| C38 | N05 | C37 | H35 | 180.0° | 89.9° |
| C38 | N05 | C37 | H36 | 60.0° | 30.0° |
| C38 | N05 | C37 | H37 | 60.0° | 150.1° |
| N05 | C38 | C39 | H39 | 179.9° | 179.8° |
| C30 | C36 | N05 | C37 | 0.0° | 0.5° |
| N05 | C36 | C30 | H32 | 0.4° | 0.3° |
| C36 | N05 | C37 | H35 | 0.1° | 90.0° |
| C36 | N05 | C37 | H36 | 120.1° | 150.1° |
| C36 | N05 | C37 | H37 | 119.9° | 30.0° |
| C36 | N05 | C38 | H38 | 179.9° | 180.0° |
| N05 | C37 | H35 | H36 | 120.0° | 119.9° |
| N05 | C37 | H35 | H37 | 120.0° | 120.0° |
| N05 | C37 | H36 | H37 | 120.0° | 120.1° |
| C37 | N05 | C38 | H38 | 0.1° | 0.0° |
| H1 | C14 | C15 | H13 | 37.4° | 42.5° |
| H1 | C14 | C15 | H14 | 158.3° | 162.3° |
| H2 | C14 | C15 | H13 | 80.4° | 77.4° |
| H2 | C14 | C15 | H14 | 40.5° | 42.4° |
| H3 | C10 | C09 | H11 | 62.3° | 59.9° |
| H3 | C10 | C09 | H12 | 57.3° | 180.0° |
| H4 | C10 | C09 | H11 | 176.5° | 180.0° |
| H4 | C10 | C09 | H12 | 63.8° | 60.0° |
| H5 | C13 | C15 | H13 | 162.7° | 163.3° |
| H5 | C13 | C15 | H14 | 41.8° | 43.5° |
| H6 | C13 | C15 | H13 | 45.0° | 45.2° |
| H6 | C13 | C15 | H14 | 75.9° | 74.6° |
| H7 | C04 | C05 | H8 | 0.5° | 0.2° |
| H9 | C08 | C09 | H11 | 72.6° | 59.9° |
| H9 | C08 | C09 | H12 | 167.7° | 180.0° |
| H10 | C08 | C09 | H11 | 46.6° | 180.0° |
| H10 | C08 | C09 | H12 | 73.1° | 60.0° |
| H15 | C16 | H16 | H17 | 120.0° | 120.0° |
| H18 | C18 | H19 | H20 | 120.0° | 120.1° |
| H21 | C21 | H22 | H23 | 120.0° | 120.0° |
| H24 | C24 | H25 | H26 | 120.0° | 120.0° |
| H29 | C29 | H30 | H31 | 120.0° | 120.0° |
| H35 | C37 | H36 | H37 | 120.0° | 120.0° |
| H38 | C38 | C39 | H39 | 0.1° | 0.0° |
