LKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | N34 | sing | 1.32Å | 1.29Å | Aromatic |
| C32 | C31 | sing | 1.40Å | 1.35Å | Aromatic |
| N34 | C35 | doub | 1.32Å | 1.27Å | Aromatic |
| C12 | N11 | sing | 1.47Å | 1.41Å | |
| F22 | C21 | sing | 1.35Å | 1.31Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | C10 | sing | 1.53Å | 1.48Å | |
| C14 | C07 | sing | 1.53Å | 1.49Å | |
| C31 | C30 | sing | 1.48Å | 1.52Å | |
| C31 | C36 | doub | 1.40Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N11 | sing | 1.47Å | 1.44Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.51Å | 1.57Å | |
| C05 | N06 | sing | 1.46Å | 1.48Å | |
| C30 | C37 | sing | 1.39Å | 1.37Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.36Å | Aromatic |
| C21 | C23 | doub | 1.38Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.32Å | Aromatic |
| S27 | C20 | sing | 1.76Å | 1.62Å | Aromatic |
| S27 | C16 | sing | 1.76Å | 1.62Å | Aromatic |
| C07 | N06 | sing | 1.47Å | 1.47Å | |
| C07 | C08 | sing | 1.53Å | 1.48Å | |
| N06 | C15 | sing | 1.35Å | 1.44Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.39Å | 1.36Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.34Å | Aromatic |
| C03 | C38 | sing | 1.39Å | 1.36Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.36Å | |
| O02 | C01 | sing | 1.43Å | 1.37Å | |
| C16 | C15 | sing | 1.47Å | 1.51Å | |
| C16 | C17 | doub | 1.34Å | 1.40Å | Aromatic |
| C15 | O28 | doub | 1.22Å | 1.17Å | |
| C24 | C25 | doub | 1.36Å | 1.34Å | Aromatic |
| C19 | C17 | sing | 1.41Å | 1.49Å | Aromatic |
| C19 | C25 | sing | 1.42Å | 1.41Å | Aromatic |
| C17 | CL18 | sing | 1.74Å | 1.72Å | |
| C25 | F26 | sing | 1.35Å | 1.33Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| N11 | H28 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C33 | N34 | 123.4° | 120.9° |
| C33 | C32 | C31 | 117.3° | 119.0° |
| C33 | C32 | H22 | 121.3° | 120.5° |
| C32 | C33 | H23 | 118.3° | 119.5° |
| C33 | N34 | C35 | 119.4° | 122.0° |
| N34 | C33 | H23 | 118.3° | 119.6° |
| C32 | C31 | C30 | 120.1° | 121.0° |
| C32 | C31 | C36 | 118.7° | 118.2° |
| C31 | C32 | H22 | 121.4° | 120.5° |
| N34 | C35 | C36 | 122.4° | 120.9° |
| N34 | C35 | H24 | 118.8° | 119.6° |
| C12 | N11 | C10 | 110.3° | 111.0° |
| N11 | C12 | H15 | 109.5° | 109.5° |
| N11 | C12 | H16 | 109.5° | 109.5° |
| N11 | C12 | H17 | 109.4° | 109.4° |
| C12 | N11 | H28 | 109.3° | 111.0° |
| F22 | C21 | C23 | 123.1° | 119.9° |
| F22 | C21 | C20 | 114.1° | 119.9° |
| C14 | C13 | C10 | 114.5° | 109.5° |
| C13 | C14 | C07 | 110.4° | 109.5° |
| C14 | C13 | H2 | 108.2° | 109.5° |
| C14 | C13 | H3 | 108.2° | 109.5° |
| C13 | C14 | H18 | 109.2° | 109.5° |
| C13 | C14 | H19 | 109.2° | 109.5° |
| C13 | C10 | N11 | 105.2° | 109.5° |
| C13 | C10 | C09 | 114.5° | 109.5° |
| C13 | C10 | H1 | 110.2° | 109.5° |
| C10 | C13 | H2 | 108.2° | 109.4° |
| C10 | C13 | H3 | 108.2° | 109.5° |
| C14 | C07 | N06 | 108.0° | 109.5° |
| C14 | C07 | C08 | 107.7° | 109.4° |
| C14 | C07 | H10 | 109.7° | 109.5° |
| C07 | C14 | H18 | 109.3° | 109.5° |
| C07 | C14 | H19 | 109.3° | 109.5° |
| C30 | C31 | C36 | 120.6° | 120.9° |
| C31 | C30 | C29 | 114.3° | 120.0° |
| C31 | C30 | C37 | 125.0° | 120.1° |
| C31 | C36 | C35 | 118.7° | 119.0° |
| C31 | C36 | H25 | 120.7° | 120.5° |
| C36 | C35 | H24 | 118.8° | 119.5° |
| C35 | C36 | H25 | 120.7° | 120.5° |
| C30 | C29 | C04 | 119.9° | 119.9° |
| C29 | C30 | C37 | 120.3° | 119.8° |
| C30 | C29 | H21 | 120.1° | 120.0° |
| C29 | C04 | C05 | 120.6° | 120.0° |
| C29 | C04 | C03 | 119.1° | 120.1° |
| C04 | C29 | H21 | 120.0° | 120.1° |
| N11 | C10 | C09 | 106.1° | 109.5° |
| N11 | C10 | H1 | 110.8° | 109.5° |
| C10 | N11 | H28 | 109.2° | 111.0° |
| C10 | C09 | C08 | 115.9° | 109.5° |
| C09 | C10 | H1 | 109.9° | 109.4° |
| C10 | C09 | H13 | 107.8° | 109.4° |
| C10 | C09 | H14 | 107.8° | 109.5° |
| C04 | C05 | N06 | 116.8° | 109.5° |
| C05 | C04 | C03 | 120.3° | 120.0° |
| C04 | C05 | H8 | 107.6° | 109.4° |
| C04 | C05 | H9 | 107.6° | 109.5° |
| C05 | N06 | C07 | 123.8° | 120.0° |
| C05 | N06 | C15 | 118.9° | 120.0° |
| N06 | C05 | H8 | 107.6° | 109.5° |
| N06 | C05 | H9 | 107.6° | 109.5° |
| C30 | C37 | C38 | 119.7° | 119.9° |
| C30 | C37 | H26 | 120.1° | 120.0° |
| C04 | C03 | C38 | 122.3° | 120.1° |
| C04 | C03 | O02 | 114.8° | 119.9° |
| C23 | C21 | C20 | 122.7° | 120.2° |
| C21 | C23 | C24 | 118.2° | 120.2° |
| C21 | C23 | H20 | 120.9° | 119.9° |
| C21 | C20 | S27 | 127.6° | 130.5° |
| C21 | C20 | C19 | 121.0° | 119.9° |
| C20 | S27 | C16 | 98.1° | 91.6° |
| S27 | C20 | C19 | 111.4° | 109.6° |
| S27 | C16 | C15 | 118.7° | 124.7° |
| S27 | C16 | C17 | 109.3° | 110.6° |
| N06 | C07 | C08 | 111.6° | 109.5° |
| C07 | N06 | C15 | 117.2° | 120.0° |
| N06 | C07 | H10 | 109.9° | 109.5° |
| C07 | C08 | C09 | 110.3° | 109.5° |
| C08 | C07 | H10 | 109.8° | 109.5° |
| C07 | C08 | H11 | 109.2° | 109.5° |
| C07 | C08 | H12 | 109.2° | 109.5° |
| N06 | C15 | C16 | 115.9° | 120.0° |
| N06 | C15 | O28 | 118.6° | 120.0° |
| C09 | C08 | H11 | 109.3° | 109.5° |
| C09 | C08 | H12 | 109.3° | 109.5° |
| C08 | C09 | H13 | 107.9° | 109.5° |
| C08 | C09 | H14 | 107.9° | 109.5° |
| C23 | C24 | C25 | 120.0° | 120.7° |
| C23 | C24 | H4 | 120.0° | 119.7° |
| C24 | C23 | H20 | 120.9° | 119.9° |
| C37 | C38 | C03 | 118.6° | 120.1° |
| C38 | C37 | H26 | 120.2° | 120.1° |
| C37 | C38 | H27 | 120.7° | 120.0° |
| C20 | C19 | C17 | 110.9° | 112.6° |
| C20 | C19 | C25 | 117.3° | 118.6° |
| C38 | C03 | O02 | 122.9° | 120.0° |
| C03 | C38 | H27 | 120.7° | 119.9° |
| C03 | O02 | C01 | 110.7° | 117.0° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C01 | H6 | 109.5° | 109.4° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| C15 | C16 | C17 | 132.0° | 124.7° |
| C16 | C15 | O28 | 125.5° | 120.0° |
| C16 | C17 | C19 | 110.3° | 115.5° |
| C16 | C17 | CL18 | 122.2° | 122.3° |
| C24 | C25 | C19 | 120.9° | 120.5° |
| C24 | C25 | F26 | 112.5° | 119.8° |
| C25 | C24 | H4 | 120.0° | 119.6° |
| C17 | C19 | C25 | 131.9° | 128.8° |
| C19 | C17 | CL18 | 127.4° | 122.2° |
| C19 | C25 | F26 | 126.6° | 119.8° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.4° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C33 | N34 | H23 | 180.0° | 180.0° |
| C33 | C32 | C31 | H22 | 180.0° | 179.9° |
| C32 | C33 | N34 | C35 | 0.6° | 0.3° |
| C33 | C32 | C31 | C30 | 176.1° | 180.0° |
| C33 | C32 | C31 | C36 | 5.0° | 0.3° |
| N34 | C33 | C32 | C31 | 3.4° | 0.0° |
| C33 | N34 | C35 | C36 | 0.4° | 0.3° |
| N34 | C33 | C32 | H22 | 176.6° | 179.9° |
| C33 | N34 | C35 | H24 | 179.6° | 179.7° |
| C32 | C31 | C30 | C36 | 170.8° | 179.7° |
| C32 | C31 | C36 | C35 | 4.2° | 0.3° |
| C32 | C31 | C30 | C29 | 20.1° | 0.3° |
| C32 | C31 | C30 | C37 | 166.8° | 179.7° |
| C31 | C32 | C33 | H23 | 176.6° | 179.9° |
| C32 | C31 | C36 | H25 | 175.8° | 179.7° |
| N34 | C35 | C36 | C31 | 1.4° | 0.0° |
| N34 | C35 | C36 | H24 | 180.0° | 180.0° |
| C35 | N34 | C33 | H23 | 179.4° | 179.8° |
| N34 | C35 | C36 | H25 | 178.6° | 180.0° |
| C12 | N11 | C10 | C13 | 82.2° | 85.0° |
| C12 | N11 | C10 | H28 | 120.1° | 124.0° |
| C12 | N11 | C10 | C09 | 156.1° | 155.0° |
| C12 | N11 | C10 | H1 | 36.9° | 35.0° |
| N11 | C12 | H15 | H16 | 120.0° | 120.0° |
| N11 | C12 | H15 | H17 | 120.0° | 120.0° |
| N11 | C12 | H16 | H17 | 120.0° | 120.0° |
| F22 | C21 | C23 | C20 | 179.0° | 179.7° |
| F22 | C21 | C20 | S27 | 0.5° | 0.1° |
| F22 | C21 | C23 | C24 | 179.9° | 180.0° |
| F22 | C21 | C20 | C19 | 179.7° | 179.7° |
| F22 | C21 | C23 | H20 | 0.1° | 0.3° |
| C14 | C13 | C10 | H2 | 120.7° | 120.0° |
| C14 | C13 | C10 | H3 | 120.8° | 120.1° |
| C13 | C14 | C07 | H18 | 120.2° | 120.1° |
| C13 | C14 | C07 | H19 | 120.1° | 120.0° |
| C14 | C13 | C10 | N11 | 152.7° | 180.0° |
| C14 | C13 | C10 | C09 | 36.7° | 60.0° |
| C13 | C14 | C07 | N06 | 173.5° | 180.0° |
| C13 | C14 | C07 | C08 | 65.8° | 60.0° |
| C14 | C13 | C10 | H1 | 87.8° | 59.9° |
| C14 | C13 | H2 | H3 | 117.7° | 120.1° |
| C13 | C14 | C07 | H10 | 53.7° | 59.9° |
| C13 | C14 | H18 | H19 | 119.6° | 120.0° |
| C10 | C13 | C14 | C07 | 53.1° | 60.1° |
| C13 | C10 | N11 | C09 | 121.7° | 120.0° |
| C13 | C10 | N11 | H1 | 119.1° | 120.0° |
| C13 | C10 | C09 | H1 | 124.6° | 120.0° |
| C13 | C10 | C09 | C08 | 34.4° | 60.0° |
| C10 | C13 | H2 | H3 | 117.7° | 120.0° |
| C13 | C10 | C09 | H13 | 86.6° | 60.0° |
| C13 | C10 | C09 | H14 | 155.3° | 180.0° |
| C10 | C13 | C14 | H18 | 67.0° | 60.0° |
| C10 | C13 | C14 | H19 | 173.3° | 180.0° |
| C13 | C10 | N11 | H28 | 37.9° | 39.0° |
| C14 | C07 | N06 | C05 | 50.4° | 98.4° |
| C14 | C07 | N06 | C08 | 118.2° | 120.0° |
| C14 | C07 | N06 | H10 | 119.7° | 120.0° |
| C14 | C07 | C08 | H10 | 119.5° | 120.0° |
| C14 | C07 | N06 | C15 | 126.3° | 81.6° |
| C14 | C07 | C08 | C09 | 62.6° | 60.0° |
| C07 | C14 | C13 | H2 | 67.6° | 180.0° |
| C07 | C14 | C13 | H3 | 173.9° | 60.0° |
| C14 | C07 | C08 | H11 | 57.5° | 60.0° |
| C14 | C07 | C08 | H12 | 177.3° | 180.0° |
| C07 | C14 | H18 | H19 | 119.6° | 120.0° |
| C30 | C31 | C36 | C35 | 175.2° | 180.0° |
| C31 | C30 | C29 | C37 | 173.4° | 179.9° |
| C31 | C30 | C29 | C04 | 175.9° | 179.9° |
| C31 | C30 | C37 | C38 | 176.4° | 179.9° |
| C31 | C30 | C29 | H21 | 4.1° | 0.1° |
| C30 | C31 | C32 | H22 | 4.0° | 0.1° |
| C30 | C31 | C36 | H25 | 4.9° | 0.0° |
| C31 | C30 | C37 | H26 | 3.7° | 0.1° |
| C31 | C36 | C35 | H25 | 180.0° | 180.0° |
| C36 | C31 | C30 | C29 | 150.7° | 180.0° |
| C36 | C31 | C30 | C37 | 22.3° | 0.1° |
| C36 | C31 | C32 | H22 | 175.0° | 179.8° |
| C31 | C36 | C35 | H24 | 178.6° | 180.0° |
| C30 | C29 | C04 | H21 | 180.0° | 180.0° |
| C30 | C29 | C04 | C05 | 178.5° | 180.0° |
| C30 | C29 | C04 | C03 | 0.1° | 0.0° |
| C29 | C30 | C37 | C38 | 3.7° | 0.0° |
| C29 | C30 | C37 | H26 | 176.3° | 180.0° |
| C29 | C04 | C05 | C03 | 178.4° | 180.0° |
| C29 | C04 | C05 | N06 | 139.3° | 98.5° |
| C04 | C29 | C30 | C37 | 2.5° | 0.0° |
| C29 | C04 | C03 | C38 | 1.5° | 0.0° |
| C29 | C04 | C03 | O02 | 179.7° | 179.8° |
| C29 | C04 | C05 | H8 | 18.3° | 21.5° |
| C29 | C04 | C05 | H9 | 99.6° | 141.5° |
| N11 | C10 | C09 | H1 | 119.8° | 120.0° |
| N11 | C10 | C09 | C08 | 149.9° | 180.0° |
| N11 | C10 | C13 | H2 | 32.0° | 60.0° |
| N11 | C10 | C13 | H3 | 86.5° | 60.0° |
| N11 | C10 | C09 | H13 | 29.0° | 60.0° |
| N11 | C10 | C09 | H14 | 89.1° | 59.9° |
| C10 | N11 | C12 | H15 | 180.0° | 180.0° |
| C10 | N11 | C12 | H16 | 60.0° | 59.9° |
| C10 | N11 | C12 | H17 | 60.0° | 60.0° |
| C10 | C09 | C08 | C07 | 47.8° | 60.0° |
| C10 | C09 | C08 | H13 | 120.9° | 119.9° |
| C10 | C09 | C08 | H14 | 120.9° | 120.0° |
| C09 | C10 | C13 | H2 | 84.1° | 180.0° |
| C09 | C10 | C13 | H3 | 157.4° | 60.1° |
| C10 | C09 | C08 | H11 | 72.3° | 60.0° |
| C10 | C09 | C08 | H12 | 167.9° | 180.0° |
| C10 | C09 | H13 | H14 | 117.1° | 120.0° |
| C09 | C10 | N11 | H28 | 83.7° | 81.0° |
| C04 | C05 | N06 | H8 | 121.1° | 120.0° |
| C04 | C05 | N06 | H9 | 121.1° | 120.1° |
| C04 | C05 | N06 | C07 | 126.0° | 83.1° |
| C04 | C05 | N06 | C15 | 57.4° | 96.9° |
| C05 | C04 | C03 | C38 | 179.9° | 180.0° |
| C05 | C04 | C03 | O02 | 1.3° | 0.3° |
| C04 | C05 | H8 | H9 | 116.7° | 120.0° |
| C05 | C04 | C29 | H21 | 1.5° | 0.0° |
| N06 | C05 | C04 | C03 | 42.3° | 81.5° |
| C05 | N06 | C07 | C15 | 176.7° | 179.9° |
| C05 | N06 | C07 | C08 | 67.8° | 21.6° |
| C05 | N06 | C15 | C16 | 0.9° | 177.6° |
| C05 | N06 | C15 | O28 | 179.2° | 2.4° |
| N06 | C05 | H8 | H9 | 116.6° | 120.0° |
| C05 | N06 | C07 | H10 | 170.1° | 141.6° |
| C30 | C37 | C38 | H26 | 180.0° | 180.0° |
| C30 | C37 | C38 | C03 | 2.3° | 0.0° |
| C37 | C30 | C29 | H21 | 177.5° | 180.0° |
| C30 | C37 | C38 | H27 | 177.7° | 179.7° |
| C04 | C03 | C38 | C37 | 0.3° | 0.0° |
| C04 | C03 | C38 | O02 | 178.7° | 179.7° |
| C04 | C03 | O02 | C01 | 145.8° | 179.7° |
| C03 | C04 | C05 | H8 | 163.4° | 158.5° |
| C03 | C04 | C05 | H9 | 78.7° | 38.5° |
| C03 | C04 | C29 | H21 | 179.9° | 180.0° |
| C04 | C03 | C38 | H27 | 179.7° | 179.7° |
| C23 | C21 | C20 | S27 | 179.6° | 179.8° |
| C21 | C23 | C24 | H20 | 180.0° | 179.7° |
| C23 | C21 | C20 | C19 | 1.2° | 0.1° |
| C21 | C23 | C24 | C25 | 0.2° | 0.5° |
| C21 | C23 | C24 | H4 | 179.8° | 179.8° |
| C21 | C20 | S27 | C19 | 179.3° | 179.7° |
| C21 | C20 | S27 | C16 | 179.1° | 179.8° |
| C20 | C21 | C23 | C24 | 1.2° | 0.3° |
| C21 | C20 | C19 | C17 | 179.3° | 180.0° |
| C21 | C20 | C19 | C25 | 0.3° | 0.2° |
| C20 | C21 | C23 | H20 | 178.9° | 180.0° |
| C20 | S27 | C16 | C15 | 178.9° | 179.8° |
| C20 | S27 | C16 | C17 | 0.3° | 0.1° |
| S27 | C20 | C19 | C17 | 0.0° | 0.2° |
| S27 | C20 | C19 | C25 | 179.7° | 180.0° |
| S27 | C16 | C15 | N06 | 57.0° | 8.1° |
| C16 | S27 | C20 | C19 | 0.2° | 0.1° |
| S27 | C16 | C15 | C17 | 179.1° | 179.9° |
| S27 | C16 | C15 | O28 | 123.1° | 171.9° |
| S27 | C16 | C17 | C19 | 0.4° | 0.2° |
| S27 | C16 | C17 | CL18 | 180.0° | 180.0° |
| N06 | C07 | C08 | H10 | 122.2° | 120.0° |
| N06 | C07 | C08 | C09 | 179.1° | 180.0° |
| C07 | N06 | C15 | C16 | 177.7° | 2.5° |
| C07 | N06 | C15 | O28 | 2.4° | 177.5° |
| C07 | N06 | C05 | H8 | 113.0° | 36.9° |
| C07 | N06 | C05 | H9 | 4.9° | 156.9° |
| N06 | C07 | C08 | H11 | 60.8° | 60.0° |
| N06 | C07 | C08 | H12 | 59.0° | 60.0° |
| N06 | C07 | C14 | H18 | 66.4° | 60.0° |
| N06 | C07 | C14 | H19 | 53.4° | 60.0° |
| C08 | C07 | N06 | C15 | 115.6° | 158.4° |
| C07 | C08 | C09 | H11 | 120.1° | 120.0° |
| C07 | C08 | C09 | H12 | 120.1° | 120.0° |
| C07 | C08 | H11 | H12 | 119.6° | 120.0° |
| C07 | C08 | C09 | H13 | 73.1° | 59.9° |
| C07 | C08 | C09 | H14 | 168.7° | 180.0° |
| C08 | C07 | C14 | H18 | 54.3° | 60.0° |
| C08 | C07 | C14 | H19 | 174.0° | 180.0° |
| N06 | C15 | C16 | O28 | 179.9° | 180.0° |
| N06 | C15 | C16 | C17 | 122.1° | 171.8° |
| C15 | N06 | C05 | H8 | 63.7° | 143.2° |
| C15 | N06 | C05 | H9 | 178.5° | 23.2° |
| C15 | N06 | C07 | H10 | 6.6° | 38.5° |
| C08 | C09 | C10 | H1 | 90.2° | 60.0° |
| C09 | C08 | C07 | H10 | 56.9° | 60.0° |
| C09 | C08 | H11 | H12 | 119.7° | 120.0° |
| C08 | C09 | H13 | H14 | 117.1° | 120.1° |
| C23 | C24 | C25 | H4 | 180.0° | 179.7° |
| C23 | C24 | C25 | C19 | 0.6° | 0.4° |
| C23 | C24 | C25 | F26 | 179.9° | 179.7° |
| C37 | C38 | C03 | H27 | 180.0° | 179.8° |
| C37 | C38 | C03 | O02 | 179.0° | 179.8° |
| C20 | C19 | C17 | C16 | 0.2° | 0.3° |
| C20 | C19 | C25 | C24 | 0.6° | 0.0° |
| C20 | C19 | C17 | C25 | 179.6° | 179.8° |
| C20 | C19 | C17 | CL18 | 179.8° | 180.0° |
| C20 | C19 | C25 | F26 | 179.7° | 179.9° |
| C38 | C03 | O02 | C01 | 35.4° | 0.0° |
| C03 | C38 | C37 | H26 | 177.7° | 180.0° |
| C03 | O02 | C01 | H5 | 180.0° | 60.0° |
| C03 | O02 | C01 | H6 | 60.0° | 59.9° |
| C03 | O02 | C01 | H7 | 60.0° | 180.0° |
| O02 | C03 | C38 | H27 | 1.0° | 0.0° |
| O02 | C01 | H5 | H6 | 120.0° | 119.9° |
| O02 | C01 | H5 | H7 | 120.0° | 120.0° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C15 | C16 | C17 | C19 | 178.8° | 179.7° |
| C15 | C16 | C17 | CL18 | 0.8° | 0.1° |
| C17 | C16 | C15 | O28 | 57.8° | 8.2° |
| C16 | C17 | C19 | CL18 | 179.6° | 179.8° |
| C16 | C17 | C19 | C25 | 179.4° | 179.9° |
| C24 | C25 | C19 | C17 | 179.9° | 179.8° |
| C24 | C25 | C19 | F26 | 179.1° | 179.9° |
| C25 | C24 | C23 | H20 | 179.8° | 179.8° |
| C17 | C19 | C25 | F26 | 0.7° | 0.1° |
| C25 | C19 | C17 | CL18 | 0.2° | 0.2° |
| C19 | C25 | C24 | H4 | 179.3° | 179.9° |
| F26 | C25 | C24 | H4 | 0.1° | 0.0° |
| H1 | C10 | C13 | H2 | 151.5° | 60.0° |
| H1 | C10 | C13 | H3 | 33.0° | 180.0° |
| H1 | C10 | C09 | H13 | 148.8° | 180.0° |
| H1 | C10 | C09 | H14 | 30.7° | 60.0° |
| H1 | C10 | N11 | H28 | 157.0° | 159.0° |
| H2 | C13 | C14 | H18 | 172.2° | 60.0° |
| H2 | C13 | C14 | H19 | 52.5° | 60.0° |
| H3 | C13 | C14 | H18 | 53.7° | 180.0° |
| H3 | C13 | C14 | H19 | 66.0° | 60.0° |
| H4 | C24 | C23 | H20 | 0.2° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H10 | C07 | C08 | H11 | 177.0° | 180.0° |
| H10 | C07 | C08 | H12 | 63.2° | 60.0° |
| H10 | C07 | C14 | H18 | 173.8° | NaN° |
| H10 | C07 | C14 | H19 | 66.4° | 60.0° |
| H11 | C08 | C09 | H13 | 166.8° | 179.9° |
| H11 | C08 | C09 | H14 | 48.6° | 60.0° |
| H12 | C08 | C09 | H13 | 47.0° | 60.1° |
| H12 | C08 | C09 | H14 | 71.2° | 60.0° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H15 | C12 | N11 | H28 | 59.9° | 56.0° |
| H16 | C12 | N11 | H28 | 60.1° | 64.0° |
| H17 | C12 | N11 | H28 | 179.9° | 176.0° |
| H22 | C32 | C33 | H23 | 3.4° | 0.0° |
| H24 | C35 | C36 | H25 | 1.4° | 0.0° |
| H26 | C37 | C38 | H27 | 2.3° | 0.3° |
