A1CL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| CL02 | C16 | sing | 1.74Å | 1.74Å | |
| C22 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O01 | sing | 1.36Å | 1.38Å | |
| O01 | C10 | sing | 1.43Å | 1.44Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | doub | 1.36Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.42Å | 1.41Å | Aromatic |
| C06 | C01 | doub | 1.42Å | 1.39Å | Aromatic |
| C07 | C11 | doub | 1.34Å | 1.38Å | Aromatic |
| C03 | CL01 | sing | 1.74Å | 1.74Å | |
| C03 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C01 | N02 | sing | 1.36Å | 1.39Å | Aromatic |
| C02 | C26 | sing | 1.48Å | 1.45Å | |
| C11 | N02 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.45Å | |
| O02 | C12 | doub | 1.22Å | 1.23Å | |
| N02 | C14 | sing | 1.47Å | 1.48Å | |
| O05 | C39 | doub | 1.22Å | 1.22Å | |
| C12 | N01 | sing | 1.35Å | 1.39Å | |
| C36 | C42 | sing | 1.52Å | 1.56Å | |
| C36 | N05 | sing | 1.46Å | 1.50Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C41 | O07 | sing | 1.43Å | 1.46Å | |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| C25 | O07 | sing | 1.43Å | 1.49Å | |
| C26 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| C39 | C37 | sing | 1.47Å | 1.46Å | |
| C39 | O06 | sing | 1.35Å | 1.32Å | |
| C24 | N03 | doub | 1.31Å | 1.30Å | Aromatic |
| N05 | C37 | sing | 1.39Å | 1.42Å | Aromatic |
| N05 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
| N01 | C33 | sing | 1.40Å | 1.39Å | |
| N01 | C13 | sing | 1.45Å | 1.47Å | |
| C27 | N04 | sing | 1.34Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C37 | C38 | doub | 1.36Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.41Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.38Å | Aromatic |
| N03 | N04 | sing | 1.40Å | 1.36Å | Aromatic |
| C38 | C31 | sing | 1.41Å | 1.40Å | Aromatic |
| N04 | C28 | sing | 1.47Å | 1.45Å | |
| C31 | C29 | doub | 1.41Å | 1.42Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | O03 | sing | 1.36Å | 1.39Å | |
| C35 | O04 | sing | 1.36Å | 1.39Å | |
| O03 | C30 | sing | 1.43Å | 1.45Å | |
| O04 | C40 | sing | 1.43Å | 1.45Å | |
| 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 | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.10Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| O06 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C16 | 120.4° | 120.0° |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.4° | 109.5° |
| CL02 | C16 | C22 | 119.1° | 120.0° |
| CL02 | C16 | C17 | 120.5° | 119.9° |
| C16 | C22 | C21 | 119.9° | 120.0° |
| C22 | C16 | C17 | 120.5° | 120.1° |
| C22 | C21 | C20 | 119.3° | 120.0° |
| C22 | C21 | H8 | 120.4° | 120.0° |
| C16 | C17 | C18 | 121.9° | 120.0° |
| C16 | C17 | C19 | 118.8° | 120.1° |
| C21 | C20 | C19 | 120.8° | 120.0° |
| C21 | C20 | O01 | 123.8° | 120.0° |
| C20 | C21 | H8 | 120.3° | 120.0° |
| C18 | C17 | C19 | 119.3° | 119.9° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C19 | C20 | 120.7° | 119.9° |
| C17 | C19 | H22 | 119.6° | 120.1° |
| C19 | C20 | O01 | 115.4° | 120.0° |
| C20 | C19 | H22 | 119.6° | 120.1° |
| C20 | O01 | C10 | 121.2° | 117.0° |
| O01 | C10 | C09 | 108.1° | 109.5° |
| O01 | C10 | H1 | 109.8° | 109.5° |
| O01 | C10 | H2 | 109.8° | 109.5° |
| C10 | C09 | C08 | 110.8° | 109.5° |
| C09 | C10 | H1 | 109.8° | 109.5° |
| C09 | C10 | H2 | 109.8° | 109.5° |
| C10 | C09 | H16 | 109.1° | 109.5° |
| C10 | C09 | H17 | 109.1° | 109.5° |
| C04 | C05 | C06 | 119.5° | 119.6° |
| C05 | C04 | C03 | 120.3° | 120.3° |
| C05 | C04 | H12 | 119.8° | 119.8° |
| C04 | C05 | H13 | 120.3° | 120.2° |
| C05 | C06 | C07 | 132.7° | 132.0° |
| C05 | C06 | C01 | 119.3° | 120.6° |
| C06 | C05 | H13 | 120.3° | 120.3° |
| C09 | C08 | C07 | 110.1° | 109.5° |
| C09 | C08 | H14 | 109.3° | 109.5° |
| C09 | C08 | H15 | 109.3° | 109.5° |
| C08 | C09 | H16 | 109.1° | 109.5° |
| C08 | C09 | H17 | 109.1° | 109.5° |
| C08 | C07 | C06 | 125.4° | 125.9° |
| C08 | C07 | C11 | 126.9° | 126.8° |
| C07 | C08 | H14 | 109.3° | 109.5° |
| C07 | C08 | H15 | 109.3° | 109.5° |
| C04 | C03 | CL01 | 118.8° | 118.6° |
| C04 | C03 | C02 | 121.6° | 121.3° |
| C03 | C04 | H12 | 119.8° | 119.9° |
| C07 | C06 | C01 | 108.0° | 107.3° |
| C06 | C07 | C11 | 107.7° | 107.2° |
| C06 | C01 | C02 | 122.4° | 118.2° |
| C06 | C01 | N02 | 107.2° | 105.3° |
| C07 | C11 | N02 | 108.4° | 108.7° |
| C07 | C11 | C12 | 131.8° | 130.5° |
| CL01 | C03 | C02 | 119.6° | 120.0° |
| C03 | C02 | C01 | 116.8° | 118.9° |
| C03 | C02 | C26 | 120.1° | 116.0° |
| C02 | C01 | N02 | 130.4° | 136.4° |
| C01 | C02 | C26 | 122.9° | 125.1° |
| C01 | N02 | C11 | 108.8° | 109.2° |
| C01 | N02 | C14 | 127.8° | 130.9° |
| C02 | C26 | C24 | 121.3° | 131.6° |
| C02 | C26 | C27 | 132.1° | 121.7° |
| N02 | C11 | C12 | 119.8° | 120.8° |
| C11 | N02 | C14 | 123.4° | 120.0° |
| C11 | C12 | O02 | 124.1° | 121.6° |
| C11 | C12 | N01 | 117.2° | 117.7° |
| O02 | C12 | N01 | 118.6° | 120.8° |
| N02 | C14 | C13 | 113.9° | 109.2° |
| N02 | C14 | C15 | 106.3° | 109.4° |
| N02 | C14 | H18 | 110.3° | 110.0° |
| O05 | C39 | C37 | 128.0° | 120.0° |
| O05 | C39 | O06 | 115.3° | 120.0° |
| C12 | N01 | C33 | 120.7° | 118.7° |
| C12 | N01 | C13 | 126.0° | 121.5° |
| C42 | C36 | N05 | 108.9° | 111.7° |
| C36 | C42 | C41 | 110.5° | 109.6° |
| C42 | C36 | H33 | 109.6° | 109.2° |
| C42 | C36 | H34 | 109.6° | 110.2° |
| C36 | C42 | H41 | 109.2° | 110.1° |
| C36 | C42 | H42 | 109.2° | 109.8° |
| C36 | N05 | C37 | 124.4° | 124.2° |
| C36 | N05 | C32 | 128.6° | 127.1° |
| N05 | C36 | H33 | 109.6° | 108.7° |
| N05 | C36 | H34 | 109.6° | 109.4° |
| C42 | C41 | O07 | 111.2° | 109.3° |
| C42 | C41 | H39 | 109.0° | 109.5° |
| C42 | C41 | H40 | 109.0° | 109.2° |
| C41 | C42 | H41 | 109.2° | 108.8° |
| C41 | C42 | H42 | 109.2° | 109.1° |
| C41 | O07 | C25 | 116.2° | 115.9° |
| O07 | C41 | H39 | 109.0° | 110.2° |
| O07 | C41 | H40 | 109.1° | 109.8° |
| C24 | C25 | O07 | 113.7° | 108.8° |
| C25 | C24 | C26 | 126.4° | 128.7° |
| C25 | C24 | N03 | 123.3° | 122.8° |
| C24 | C25 | H26 | 108.4° | 109.5° |
| C24 | C25 | H27 | 108.4° | 109.5° |
| O07 | C25 | H26 | 108.4° | 109.8° |
| O07 | C25 | H27 | 108.4° | 109.6° |
| C24 | C26 | C27 | 106.6° | 106.7° |
| C26 | C24 | N03 | 110.3° | 108.5° |
| C26 | C27 | N04 | 105.1° | 108.2° |
| C26 | C27 | H28 | 127.4° | 126.2° |
| C37 | C39 | O06 | 116.6° | 120.0° |
| C39 | C37 | N05 | 125.5° | 126.3° |
| C39 | C37 | C38 | 127.0° | 124.9° |
| C39 | O06 | H43 | 109.5° | 117.0° |
| C24 | N03 | N04 | 105.2° | 108.8° |
| C37 | N05 | C32 | 107.0° | 108.7° |
| N05 | C37 | C38 | 107.5° | 108.8° |
| N05 | C32 | C33 | 133.0° | 135.1° |
| N05 | C32 | C31 | 108.1° | 106.1° |
| C33 | N01 | C13 | 113.1° | 119.8° |
| N01 | C33 | C32 | 116.6° | 124.8° |
| N01 | C33 | C34 | 121.2° | 115.3° |
| N01 | C13 | C14 | 112.3° | 113.7° |
| N01 | C13 | H3 | 108.7° | 108.7° |
| N01 | C13 | H4 | 108.8° | 108.8° |
| C27 | N04 | N03 | 112.8° | 107.9° |
| C27 | N04 | C28 | 125.9° | 126.0° |
| N04 | C27 | H28 | 127.5° | 125.6° |
| C13 | C14 | C15 | 107.2° | 109.0° |
| C14 | C13 | H3 | 108.8° | 108.3° |
| C14 | C13 | H4 | 108.7° | 107.9° |
| C13 | C14 | H18 | 109.6° | 109.8° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C15 | C14 | H18 | 109.4° | 109.3° |
| C37 | C38 | C31 | 110.0° | 107.6° |
| C37 | C38 | H35 | 125.0° | 126.5° |
| C33 | C32 | C31 | 118.9° | 118.7° |
| C32 | C33 | C34 | 122.2° | 119.9° |
| C32 | C31 | C38 | 107.4° | 107.3° |
| C32 | C31 | C29 | 119.6° | 120.6° |
| C33 | C34 | C35 | 118.2° | 121.2° |
| C33 | C34 | H32 | 120.9° | 119.4° |
| N03 | N04 | C28 | 121.3° | 126.1° |
| C38 | C31 | C29 | 133.0° | 132.1° |
| C31 | C38 | H35 | 125.0° | 125.9° |
| N04 | C28 | H9 | 109.5° | 109.4° |
| N04 | C28 | H10 | 109.5° | 109.5° |
| N04 | C28 | H11 | 109.5° | 109.4° |
| C31 | C29 | C35 | 120.1° | 119.4° |
| C31 | C29 | O03 | 118.8° | 120.3° |
| C34 | C35 | C29 | 120.9° | 119.8° |
| C34 | C35 | O04 | 116.7° | 120.1° |
| C35 | C34 | H32 | 120.9° | 119.5° |
| C35 | C29 | O03 | 121.1° | 120.3° |
| C29 | C35 | O04 | 122.5° | 120.0° |
| C29 | O03 | C30 | 116.3° | 117.0° |
| C35 | O04 | C40 | 120.3° | 117.0° |
| O03 | C30 | H29 | 109.5° | 109.5° |
| O03 | C30 | H30 | 109.5° | 109.5° |
| O03 | C30 | H31 | 109.5° | 109.5° |
| O04 | C40 | H36 | 109.5° | 109.5° |
| O04 | C40 | H37 | 109.4° | 109.5° |
| O04 | C40 | H38 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H9 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.4° |
| H16 | C09 | H17 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.4° |
| H19 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| H23 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.6° |
| H29 | C30 | H30 | 109.5° | 109.4° |
| H29 | C30 | H31 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.4° |
| H33 | C36 | H34 | 109.5° | 107.6° |
| H36 | C40 | H37 | 109.5° | 109.5° |
| H36 | C40 | H38 | 109.4° | 109.4° |
| H37 | C40 | H38 | 109.5° | 109.4° |
| H39 | C41 | H40 | 109.5° | 108.7° |
| H41 | C42 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C16 | CL02 | 0.1° | 0.0° |
| C23 | C22 | C16 | C21 | 179.9° | 179.9° |
| C23 | C22 | C16 | C17 | 179.9° | 179.9° |
| C23 | C22 | C21 | C20 | 180.0° | 179.7° |
| C23 | C22 | C21 | H8 | 0.1° | 0.0° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H25 | 120.0° | 120.0° |
| C22 | C23 | H24 | H25 | 120.0° | 120.1° |
| CL02 | C16 | C22 | C17 | 180.0° | 179.9° |
| CL02 | C16 | C22 | C21 | 180.0° | 180.0° |
| CL02 | C16 | C17 | C18 | 0.0° | 0.0° |
| CL02 | C16 | C17 | C19 | 179.8° | 179.7° |
| C16 | C22 | C21 | C20 | 0.0° | 0.4° |
| C22 | C16 | C17 | C18 | 179.9° | 180.0° |
| C22 | C16 | C17 | C19 | 0.1° | 0.2° |
| C16 | C22 | C21 | H8 | 180.0° | 179.9° |
| C16 | C22 | C23 | H23 | 90.0° | 90.0° |
| C16 | C22 | C23 | H24 | 150.0° | 150.1° |
| C16 | C22 | C23 | H25 | 30.0° | 30.0° |
| C21 | C22 | C16 | C17 | 0.0° | 0.1° |
| C22 | C21 | C20 | H8 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.1° | 0.3° |
| C22 | C21 | C20 | O01 | 179.5° | 179.7° |
| C21 | C22 | C23 | H23 | 90.0° | 89.9° |
| C21 | C22 | C23 | H24 | 30.0° | 30.0° |
| C21 | C22 | C23 | H25 | 150.0° | 150.0° |
| C16 | C17 | C18 | C19 | 179.8° | 179.8° |
| C16 | C17 | C19 | C20 | 0.3° | 0.2° |
| C16 | C17 | C18 | H19 | 90.1° | 90.2° |
| C16 | C17 | C18 | H20 | 149.9° | 29.8° |
| C16 | C17 | C18 | H21 | 29.9° | 149.7° |
| C16 | C17 | C19 | H22 | 179.7° | 179.8° |
| C21 | C20 | C19 | C17 | 0.2° | 0.0° |
| C21 | C20 | C19 | O01 | 179.5° | 180.0° |
| C21 | C20 | O01 | C10 | 162.4° | 0.0° |
| C21 | C20 | C19 | H22 | 179.7° | 179.9° |
| C18 | C17 | C19 | C20 | 179.9° | 180.0° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H21 | 120.0° | 120.1° |
| C17 | C18 | H20 | H21 | 120.0° | 120.0° |
| C18 | C17 | C19 | H22 | 0.1° | 0.0° |
| C17 | C19 | C20 | H22 | 180.0° | 180.0° |
| C17 | C19 | C20 | O01 | 179.7° | 180.0° |
| C19 | C17 | C18 | H19 | 90.1° | 90.0° |
| C19 | C17 | C18 | H20 | 29.9° | 150.0° |
| C19 | C17 | C18 | H21 | 149.9° | 30.0° |
| C19 | C20 | O01 | C10 | 17.1° | 180.0° |
| C19 | C20 | C21 | H8 | 179.9° | 180.0° |
| C20 | O01 | C10 | C09 | 175.1° | 180.0° |
| C20 | O01 | C10 | H1 | 55.3° | 60.0° |
| C20 | O01 | C10 | H2 | 65.1° | 60.0° |
| O01 | C20 | C21 | H8 | 0.4° | 0.0° |
| O01 | C20 | C19 | H22 | 0.2° | 0.0° |
| O01 | C10 | C09 | H1 | 119.8° | 120.0° |
| O01 | C10 | C09 | H2 | 119.8° | 120.0° |
| O01 | C10 | C09 | C08 | 47.7° | 180.0° |
| O01 | C10 | H1 | H2 | 120.6° | 120.0° |
| O01 | C10 | C09 | H16 | 72.5° | 60.0° |
| O01 | C10 | C09 | H17 | 167.9° | 60.0° |
| C10 | C09 | C08 | H16 | 120.2° | 120.1° |
| C10 | C09 | C08 | H17 | 120.2° | 120.0° |
| C10 | C09 | C08 | C07 | 80.7° | 180.0° |
| C09 | C10 | H1 | H2 | 120.6° | 120.0° |
| C10 | C09 | C08 | H14 | 39.3° | 60.0° |
| C10 | C09 | C08 | H15 | 159.2° | 60.0° |
| C10 | C09 | H16 | H17 | 119.4° | 120.0° |
| C04 | C05 | C06 | H13 | 180.0° | 180.0° |
| C05 | C04 | C03 | H12 | 180.0° | 178.1° |
| C04 | C05 | C06 | C07 | 179.7° | 170.9° |
| C04 | C05 | C06 | C01 | 0.1° | 7.8° |
| C05 | C04 | C03 | CL01 | 179.8° | 175.5° |
| C05 | C04 | C03 | C02 | 0.8° | 4.2° |
| C05 | C06 | C07 | C08 | 1.4° | 6.7° |
| C06 | C05 | C04 | C03 | 0.0° | 0.4° |
| C05 | C06 | C07 | C01 | 179.8° | 178.8° |
| C05 | C06 | C07 | C11 | 179.3° | 173.3° |
| C05 | C06 | C01 | C02 | 1.0° | 12.1° |
| C05 | C06 | C01 | N02 | 179.6° | 167.0° |
| C06 | C05 | C04 | H12 | 179.9° | 178.5° |
| C09 | C08 | C07 | H14 | 120.1° | 120.0° |
| C09 | C08 | C07 | H15 | 120.1° | 120.0° |
| C09 | C08 | C07 | C06 | 104.9° | 90.0° |
| C09 | C08 | C07 | C11 | 75.9° | 90.1° |
| C08 | C09 | C10 | H1 | 167.5° | 60.0° |
| C08 | C09 | C10 | H2 | 72.1° | 60.0° |
| C09 | C08 | H14 | H15 | 119.7° | 120.0° |
| C08 | C09 | H16 | H17 | 119.4° | 120.0° |
| C08 | C07 | C06 | C11 | 179.4° | 180.0° |
| C08 | C07 | C06 | C01 | 178.8° | 172.1° |
| C08 | C07 | C11 | N02 | 177.9° | 178.6° |
| C08 | C07 | C11 | C12 | 2.2° | 1.9° |
| C07 | C08 | H14 | H15 | 119.7° | 120.0° |
| C07 | C08 | C09 | H16 | 159.1° | 60.0° |
| C07 | C08 | C09 | H17 | 39.5° | 60.0° |
| C04 | C03 | CL01 | C02 | 179.0° | 179.7° |
| C04 | C03 | C02 | C01 | 1.6° | 0.3° |
| C04 | C03 | C02 | C26 | 177.2° | 178.1° |
| C03 | C04 | C05 | H13 | 179.9° | 179.5° |
| C07 | C06 | C01 | C02 | 178.9° | 166.9° |
| C07 | C06 | C01 | N02 | 0.5° | 14.0° |
| C06 | C07 | C11 | N02 | 1.4° | 1.4° |
| C06 | C07 | C11 | C12 | 177.2° | 178.0° |
| C07 | C06 | C05 | H13 | 0.3° | 9.1° |
| C06 | C07 | C08 | H14 | 15.2° | 150.0° |
| C06 | C07 | C08 | H15 | 135.0° | 30.0° |
| C01 | C06 | C07 | C11 | 0.6° | 7.8° |
| C06 | C01 | C02 | C03 | 1.7° | 8.2° |
| C06 | C01 | C02 | N02 | 179.3° | 178.7° |
| C06 | C01 | C02 | C26 | 177.2° | 170.0° |
| C06 | C01 | N02 | C11 | 1.4° | 15.1° |
| C06 | C01 | N02 | C14 | 178.1° | 163.1° |
| C01 | C06 | C05 | H13 | 179.9° | 172.2° |
| C07 | C11 | N02 | C01 | 1.8° | 10.7° |
| C07 | C11 | N02 | C12 | 176.3° | 179.5° |
| C07 | C11 | C12 | O02 | 10.5° | 2.4° |
| C07 | C11 | N02 | C14 | 178.6° | 167.7° |
| C07 | C11 | C12 | N01 | 166.6° | 176.5° |
| C11 | C07 | C08 | H14 | 164.1° | 30.0° |
| C11 | C07 | C08 | H15 | 44.2° | 149.9° |
| CL01 | C03 | C02 | C01 | 179.5° | 180.0° |
| CL01 | C03 | C02 | C26 | 3.9° | 1.6° |
| CL01 | C03 | C04 | H12 | 0.2° | 2.6° |
| C03 | C02 | C01 | C26 | 175.5° | 178.3° |
| C03 | C02 | C01 | N02 | 179.1° | 170.5° |
| C03 | C02 | C26 | C24 | 105.7° | 138.5° |
| C03 | C02 | C26 | C27 | 72.2° | 42.8° |
| C02 | C03 | C04 | H12 | 179.2° | 177.7° |
| C02 | C01 | N02 | C11 | 177.9° | 166.1° |
| C02 | C01 | N02 | C14 | 1.3° | 15.8° |
| C01 | C02 | C26 | C24 | 69.7° | 39.8° |
| C01 | C02 | C26 | C27 | 112.4° | 138.9° |
| N02 | C01 | C02 | C26 | 3.6° | 11.2° |
| C01 | N02 | C11 | C14 | 176.9° | 178.4° |
| C01 | N02 | C11 | C12 | 178.1° | 168.8° |
| C01 | N02 | C14 | C13 | 158.4° | 145.2° |
| C01 | N02 | C14 | C15 | 83.8° | 95.5° |
| C01 | N02 | C14 | H18 | 34.7° | 24.6° |
| C02 | C26 | C24 | C25 | 0.9° | 0.7° |
| C02 | C26 | C24 | C27 | 178.4° | 178.8° |
| C02 | C26 | C24 | N03 | 178.8° | 179.8° |
| C02 | C26 | C27 | N04 | 178.7° | 180.0° |
| C02 | C26 | C27 | H28 | 1.3° | 0.7° |
| N02 | C11 | C12 | O02 | 174.1° | 178.2° |
| N02 | C11 | C12 | N01 | 8.8° | 2.9° |
| C11 | N02 | C14 | C13 | 25.4° | 36.8° |
| C11 | N02 | C14 | C15 | 92.4° | 82.5° |
| C11 | N02 | C14 | H18 | 149.1° | 157.4° |
| C11 | C12 | O02 | N01 | 177.0° | 178.9° |
| C12 | C11 | N02 | C14 | 5.0° | 12.8° |
| C11 | C12 | N01 | C33 | 175.6° | 167.6° |
| C11 | C12 | N01 | C13 | 0.3° | 10.1° |
| O02 | C12 | N01 | C33 | 1.7° | 13.4° |
| O02 | C12 | N01 | C13 | 177.5° | 168.9° |
| N02 | C14 | C13 | N01 | 30.5° | 47.3° |
| N02 | C14 | C13 | C15 | 117.3° | 119.5° |
| N02 | C14 | C13 | H18 | 124.1° | 120.7° |
| N02 | C14 | C15 | H18 | 119.1° | 120.5° |
| N02 | C14 | C13 | H3 | 89.9° | 168.2° |
| N02 | C14 | C13 | H4 | 150.9° | 73.5° |
| N02 | C14 | C15 | H5 | 180.0° | 59.4° |
| N02 | C14 | C15 | H6 | 60.0° | 60.7° |
| N02 | C14 | C15 | H7 | 60.0° | 179.3° |
| O05 | C39 | C37 | O06 | 178.1° | 179.9° |
| O05 | C39 | C37 | N05 | 17.7° | 174.2° |
| O05 | C39 | C37 | C38 | 161.2° | 6.3° |
| O05 | C39 | O06 | H43 | 0.0° | 0.1° |
| C12 | N01 | C33 | C13 | 176.3° | 177.8° |
| C12 | N01 | C13 | C14 | 19.8° | 36.4° |
| C12 | N01 | C33 | C32 | 89.8° | 144.9° |
| C12 | N01 | C33 | C34 | 91.0° | 38.3° |
| C12 | N01 | C13 | H3 | 100.6° | 157.1° |
| C12 | N01 | C13 | H4 | 140.2° | 83.8° |
| C42 | C36 | N05 | H33 | 119.9° | 120.5° |
| C42 | C36 | N05 | H34 | 119.9° | 122.3° |
| C36 | C42 | C41 | H41 | 120.2° | 120.4° |
| C36 | C42 | C41 | H42 | 120.1° | 120.3° |
| C36 | C42 | C41 | O07 | 125.1° | 117.0° |
| C42 | C36 | N05 | C37 | 87.0° | 72.1° |
| C42 | C36 | N05 | C32 | 93.1° | 109.1° |
| C42 | C36 | H33 | H34 | 120.3° | 119.6° |
| C36 | C42 | C41 | H39 | 4.8° | 3.9° |
| C36 | C42 | C41 | H40 | 114.6° | 122.8° |
| C36 | C42 | H41 | H42 | 119.5° | 120.8° |
| N05 | C36 | C42 | C41 | 163.4° | 164.0° |
| C36 | N05 | C37 | C39 | 0.9° | 8.9° |
| C36 | N05 | C37 | C32 | 179.9° | 179.0° |
| C36 | N05 | C37 | C38 | 180.0° | 170.7° |
| C36 | N05 | C32 | C33 | 0.2° | 9.9° |
| C36 | N05 | C32 | C31 | 179.9° | 166.5° |
| N05 | C36 | H33 | H34 | 120.3° | 118.4° |
| N05 | C36 | C42 | H41 | 76.4° | 76.3° |
| N05 | C36 | C42 | H42 | 43.3° | 44.2° |
| C42 | C41 | O07 | H39 | 120.3° | 120.4° |
| C42 | C41 | O07 | H40 | 120.3° | 119.8° |
| C42 | C41 | O07 | C25 | 175.3° | 140.7° |
| C41 | C42 | C36 | H33 | 76.7° | 75.8° |
| C41 | C42 | C36 | H34 | 43.5° | 42.2° |
| C42 | C41 | H39 | H40 | 119.2° | 119.3° |
| C41 | C42 | H41 | H42 | 119.5° | 119.1° |
| C41 | O07 | C25 | C24 | 153.8° | 162.8° |
| C41 | O07 | C25 | H26 | 85.6° | 42.9° |
| C41 | O07 | C25 | H27 | 33.2° | 77.6° |
| O07 | C41 | H39 | H40 | 119.2° | 120.4° |
| O07 | C41 | C42 | H41 | 114.7° | 122.6° |
| O07 | C41 | C42 | H42 | 5.0° | 3.3° |
| C24 | C25 | O07 | H26 | 120.6° | 119.9° |
| C24 | C25 | O07 | H27 | 120.6° | 119.6° |
| C25 | C24 | C26 | N03 | 179.8° | 179.5° |
| C25 | C24 | C26 | C27 | 179.3° | 179.5° |
| C25 | C24 | N03 | N04 | 179.7° | 180.0° |
| C24 | C25 | H26 | H27 | 118.1° | 120.1° |
| O07 | C25 | C24 | C26 | 105.1° | 131.1° |
| O07 | C25 | C24 | N03 | 75.2° | 49.5° |
| O07 | C25 | H26 | H27 | 118.0° | 120.4° |
| C25 | O07 | C41 | H39 | 55.0° | 20.3° |
| C25 | O07 | C41 | H40 | 64.5° | 99.5° |
| C24 | C26 | C27 | N04 | 0.6° | 1.1° |
| C26 | C24 | N03 | N04 | 0.1° | 0.5° |
| C26 | C24 | C25 | H26 | 134.3° | 108.8° |
| C26 | C24 | C25 | H27 | 15.6° | 11.4° |
| C24 | C26 | C27 | H28 | 179.4° | 178.2° |
| C27 | C26 | C24 | N03 | 0.5° | 1.0° |
| C26 | C27 | N04 | H28 | 180.0° | 179.4° |
| C26 | C27 | N04 | N03 | 0.5° | 0.8° |
| C26 | C27 | N04 | C28 | 179.5° | 179.1° |
| C39 | C37 | N05 | C38 | 179.1° | 179.6° |
| C39 | C37 | N05 | C32 | 179.1° | 172.1° |
| C39 | C37 | C38 | C31 | 179.2° | 179.8° |
| C39 | C37 | C38 | H35 | 0.8° | 0.3° |
| C37 | C39 | O06 | H43 | 178.4° | 180.0° |
| O06 | C39 | C37 | N05 | 164.2° | 5.7° |
| O06 | C39 | C37 | C38 | 16.9° | 173.8° |
| C24 | N03 | N04 | C27 | 0.3° | 0.2° |
| C24 | N03 | N04 | C28 | 179.8° | 179.7° |
| N03 | C24 | C25 | H26 | 45.4° | 70.6° |
| N03 | C24 | C25 | H27 | 164.2° | 169.2° |
| C37 | N05 | C32 | C33 | 179.7° | 171.2° |
| C37 | N05 | C32 | C31 | 0.1° | 12.5° |
| N05 | C37 | C38 | C31 | 0.1° | 0.7° |
| C37 | N05 | C36 | H33 | 32.9° | 48.4° |
| C37 | N05 | C36 | H34 | 153.1° | 165.6° |
| N05 | C37 | C38 | H35 | 179.9° | 179.3° |
| N05 | C32 | C33 | N01 | 0.4° | 13.0° |
| C32 | N05 | C37 | C38 | 0.0° | 8.4° |
| N05 | C32 | C33 | C31 | 179.8° | 176.0° |
| N05 | C32 | C33 | C34 | 179.6° | 170.4° |
| N05 | C32 | C31 | C38 | 0.2° | 12.0° |
| N05 | C32 | C31 | C29 | 180.0° | 169.5° |
| C32 | N05 | C36 | H33 | 147.0° | 130.4° |
| C32 | N05 | C36 | H34 | 26.9° | 13.2° |
| C33 | N01 | C13 | C14 | 164.1° | 141.3° |
| N01 | C33 | C32 | C34 | 179.2° | 176.6° |
| N01 | C33 | C32 | C31 | 179.8° | 171.0° |
| N01 | C33 | C34 | C35 | 179.8° | 176.1° |
| C33 | N01 | C13 | H3 | 75.5° | 20.6° |
| C33 | N01 | C13 | H4 | 43.7° | 98.5° |
| N01 | C33 | C34 | H32 | 0.2° | 3.8° |
| N01 | C13 | C14 | H3 | 120.4° | 120.9° |
| N01 | C13 | C14 | H4 | 120.4° | 120.7° |
| N01 | C13 | C14 | C15 | 86.8° | 72.2° |
| C13 | N01 | C33 | C32 | 86.5° | 37.3° |
| C13 | N01 | C33 | C34 | 92.7° | 139.4° |
| N01 | C13 | H3 | H4 | 118.7° | 118.7° |
| N01 | C13 | C14 | H18 | 154.6° | 168.0° |
| C27 | N04 | N03 | C28 | 179.9° | 179.9° |
| C27 | N04 | C28 | H9 | 179.9° | 89.9° |
| C27 | N04 | C28 | H10 | 60.1° | 150.0° |
| C27 | N04 | C28 | H11 | 59.9° | 30.0° |
| C13 | C14 | C15 | H18 | 118.7° | 120.1° |
| C14 | C13 | H3 | H4 | 118.7° | 117.3° |
| C13 | C14 | C15 | H5 | 57.8° | 60.0° |
| C13 | C14 | C15 | H6 | 62.2° | 179.9° |
| C13 | C14 | C15 | H7 | 177.9° | 60.0° |
| C15 | C14 | C13 | H3 | 152.8° | 48.7° |
| C15 | C14 | C13 | H4 | 33.6° | 167.0° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C37 | C38 | C31 | C32 | 0.2° | 7.0° |
| C37 | C38 | C31 | H35 | 180.0° | 180.0° |
| C37 | C38 | C31 | C29 | 179.9° | 174.6° |
| C33 | C32 | C31 | C38 | 179.7° | 171.0° |
| C33 | C32 | C31 | C29 | 0.1° | 7.6° |
| C32 | C33 | C34 | C35 | 0.6° | 0.8° |
| C32 | C33 | C34 | H32 | 179.3° | 179.3° |
| C31 | C32 | C33 | C34 | 0.6° | 5.6° |
| C32 | C31 | C38 | C29 | 179.7° | 178.4° |
| C32 | C31 | C29 | C35 | 0.4° | 4.8° |
| C32 | C31 | C29 | O03 | 179.8° | 175.1° |
| C32 | C31 | C38 | H35 | 179.8° | 173.0° |
| C33 | C34 | C35 | H32 | 180.0° | 179.9° |
| C33 | C34 | C35 | C29 | 0.2° | 2.0° |
| C33 | C34 | C35 | O04 | 179.7° | 178.0° |
| N03 | N04 | C28 | H9 | 0.0° | 89.9° |
| N03 | N04 | C28 | H10 | 120.0° | 30.2° |
| N03 | N04 | C28 | H11 | 120.0° | 150.1° |
| N03 | N04 | C27 | H28 | 179.5° | 178.5° |
| C38 | C31 | C29 | C35 | 180.0° | 173.4° |
| C38 | C31 | C29 | O03 | 0.5° | 6.8° |
| N04 | C28 | H9 | H10 | 120.0° | 120.1° |
| N04 | C28 | H9 | H11 | 120.0° | 119.9° |
| N04 | C28 | H10 | H11 | 120.0° | 119.9° |
| C28 | N04 | C27 | H28 | 0.5° | 1.6° |
| C31 | C29 | C35 | C34 | 0.3° | 0.0° |
| C31 | C29 | C35 | O03 | 179.4° | 179.9° |
| C31 | C29 | C35 | O04 | 179.8° | 180.0° |
| C31 | C29 | O03 | C30 | 101.6° | 90.2° |
| C29 | C31 | C38 | H35 | 0.1° | 5.4° |
| C34 | C35 | C29 | O04 | 179.9° | 180.0° |
| C34 | C35 | C29 | O03 | 179.7° | 179.9° |
| C34 | C35 | O04 | C40 | 39.3° | 0.0° |
| C35 | C29 | O03 | C30 | 77.9° | 90.0° |
| C29 | C35 | O04 | C40 | 140.8° | 180.0° |
| C29 | C35 | C34 | H32 | 179.8° | 177.9° |
| O03 | C29 | C35 | O04 | 0.4° | 0.1° |
| C29 | O03 | C30 | H29 | 180.0° | 180.0° |
| C29 | O03 | C30 | H30 | 60.0° | 60.0° |
| C29 | O03 | C30 | H31 | 60.0° | 60.0° |
| O04 | C35 | C34 | H32 | 0.3° | 2.1° |
| C35 | O04 | C40 | H36 | 180.0° | 60.0° |
| C35 | O04 | C40 | H37 | 60.0° | 60.1° |
| C35 | O04 | C40 | H38 | 60.0° | 180.0° |
| O03 | C30 | H29 | H30 | 120.0° | 120.0° |
| O03 | C30 | H29 | H31 | 120.0° | 120.0° |
| O03 | C30 | H30 | H31 | 120.0° | 120.1° |
| O04 | C40 | H36 | H37 | 120.0° | 120.0° |
| O04 | C40 | H36 | H38 | 120.0° | 120.0° |
| O04 | C40 | H37 | H38 | 120.0° | 120.0° |
| H1 | C10 | C09 | H16 | 47.3° | 60.0° |
| H1 | C10 | C09 | H17 | 72.3° | 180.0° |
| H2 | C10 | C09 | H16 | 167.7° | 180.0° |
| H2 | C10 | C09 | H17 | 48.1° | 60.0° |
| H3 | C13 | C14 | H18 | 34.2° | 71.1° |
| H4 | C13 | C14 | H18 | 85.0° | 47.3° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H5 | C15 | C14 | H18 | 60.9° | 180.0° |
| H6 | C15 | C14 | H18 | 179.1° | 59.9° |
| H7 | C15 | C14 | H18 | 59.2° | 60.1° |
| H9 | C28 | H10 | H11 | 120.0° | 120.0° |
| H12 | C04 | C05 | H13 | 0.1° | 1.4° |
| H14 | C08 | C09 | H16 | 80.9° | 60.1° |
| H14 | C08 | C09 | H17 | 159.5° | 180.0° |
| H15 | C08 | C09 | H16 | 39.0° | 180.0° |
| H15 | C08 | C09 | H17 | 80.7° | 60.0° |
| H19 | C18 | H20 | H21 | 120.0° | 120.0° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
| H29 | C30 | H30 | H31 | 120.0° | 119.9° |
| H33 | C36 | C42 | H41 | 43.5° | 43.9° |
| H33 | C36 | C42 | H42 | 163.2° | 164.4° |
| H34 | C36 | C42 | H41 | 163.7° | 161.8° |
| H34 | C36 | C42 | H42 | 76.6° | 77.7° |
| H36 | C40 | H37 | H38 | 119.9° | 119.9° |
| H39 | C41 | C42 | H41 | 125.0° | 116.6° |
| H39 | C41 | C42 | H42 | 115.3° | 124.2° |
| H40 | C41 | C42 | H41 | 5.5° | 2.4° |
| H40 | C41 | C42 | H42 | 125.2° | 116.9° |
