6EE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F40 | C38 | sing | 1.35Å | 1.35Å | |
| C37 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| F41 | C36 | sing | 1.35Å | 1.34Å | |
| C36 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C39 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C27 | sing | 1.51Å | 1.51Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| CL | C32 | sing | 1.74Å | 1.73Å | |
| C34 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.52Å | |
| C28 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C24 | sing | 1.53Å | 1.54Å | |
| N26 | C24 | sing | 1.47Å | 1.49Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| O8 | C6 | doub | 1.22Å | 1.22Å | |
| C23 | N22 | sing | 1.35Å | 1.37Å | |
| C23 | O25 | doub | 1.21Å | 1.22Å | |
| C6 | O5 | sing | 1.35Å | 1.36Å | |
| C6 | N7 | sing | 1.35Å | 1.36Å | |
| C4 | O5 | sing | 1.45Å | 1.42Å | |
| C4 | C1 | sing | 1.53Å | 1.51Å | |
| N22 | C20 | sing | 1.40Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N7 | C9 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| N | C1 | sing | 1.47Å | 1.49Å | |
| C3 | O | sing | 1.43Å | 1.42Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C20 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| F12 | C10 | sing | 1.40Å | 1.36Å | |
| C10 | F11 | sing | 1.40Å | 1.36Å | |
| C10 | F | sing | 1.40Å | 1.36Å | |
| C16 | F21 | sing | 1.35Å | 1.34Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.08Å | 1.08Å | |
| C34 | H9 | sing | 1.08Å | 1.08Å | |
| C31 | H10 | sing | 1.08Å | 1.08Å | |
| C33 | H11 | sing | 1.08Å | 1.08Å | |
| C35 | H12 | sing | 1.08Å | 1.08Å | |
| C39 | H13 | sing | 1.08Å | 1.08Å | |
| C37 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| N22 | H26 | sing | 0.97Å | 1.00Å | |
| N7 | H27 | sing | 0.97Å | 1.00Å | |
| N | H28 | sing | 1.01Å | 1.00Å | |
| N26 | H30 | sing | 1.01Å | 1.00Å | |
| N26 | H31 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F40 | C38 | C37 | 119.1° | 120.0° |
| F40 | C38 | C39 | 120.8° | 120.0° |
| C38 | C37 | C36 | 119.2° | 119.9° |
| C37 | C38 | C39 | 120.1° | 120.0° |
| C38 | C37 | H14 | 120.4° | 120.1° |
| C37 | C36 | F41 | 119.3° | 120.0° |
| C37 | C36 | C35 | 121.1° | 120.0° |
| C36 | C37 | H14 | 120.4° | 120.0° |
| C38 | C39 | C29 | 120.9° | 120.0° |
| C38 | C39 | H13 | 119.5° | 120.0° |
| F41 | C36 | C35 | 119.6° | 120.0° |
| C36 | C35 | C29 | 119.8° | 120.0° |
| C36 | C35 | H12 | 120.1° | 120.0° |
| C39 | C29 | C35 | 118.8° | 120.1° |
| C39 | C29 | C27 | 122.8° | 120.0° |
| C29 | C39 | H13 | 119.6° | 120.0° |
| C35 | C29 | C27 | 118.3° | 120.0° |
| C29 | C35 | H12 | 120.1° | 120.0° |
| C29 | C27 | C28 | 107.2° | 109.4° |
| C29 | C27 | C24 | 115.7° | 109.5° |
| C29 | C27 | H24 | 107.5° | 109.5° |
| C34 | C33 | C32 | 120.1° | 120.0° |
| C33 | C34 | C28 | 120.9° | 120.0° |
| C33 | C34 | H9 | 119.5° | 120.0° |
| C34 | C33 | H11 | 120.0° | 120.0° |
| C33 | C32 | CL | 120.1° | 120.0° |
| C33 | C32 | C31 | 119.8° | 120.0° |
| C32 | C33 | H11 | 120.0° | 120.1° |
| CL | C32 | C31 | 120.0° | 120.0° |
| C34 | C28 | C27 | 122.8° | 120.0° |
| C34 | C28 | C30 | 118.0° | 120.0° |
| C28 | C34 | H9 | 119.6° | 120.0° |
| C32 | C31 | C30 | 120.0° | 120.0° |
| C32 | C31 | H10 | 120.0° | 120.0° |
| C27 | C28 | C30 | 119.0° | 120.0° |
| C28 | C27 | C24 | 111.8° | 109.5° |
| C28 | C27 | H24 | 107.3° | 109.5° |
| C28 | C30 | C31 | 121.1° | 120.0° |
| C28 | C30 | H8 | 119.4° | 120.0° |
| C31 | C30 | H8 | 119.4° | 120.0° |
| C30 | C31 | H10 | 120.0° | 120.0° |
| C27 | C24 | N26 | 111.6° | 109.5° |
| C27 | C24 | C23 | 108.8° | 109.5° |
| C24 | C27 | H24 | 107.1° | 109.5° |
| C27 | C24 | H25 | 110.0° | 109.5° |
| N26 | C24 | C23 | 105.3° | 109.4° |
| N26 | C24 | H25 | 110.6° | 109.5° |
| C24 | N26 | H30 | 109.5° | 111.0° |
| C24 | N26 | H31 | 109.5° | 111.0° |
| C24 | C23 | N22 | 115.7° | 120.0° |
| C24 | C23 | O25 | 119.5° | 120.0° |
| C23 | C24 | H25 | 110.5° | 109.5° |
| O8 | C6 | O5 | 124.8° | 120.0° |
| O8 | C6 | N7 | 123.1° | 120.0° |
| N22 | C23 | O25 | 124.7° | 120.0° |
| C23 | N22 | C20 | 120.4° | 120.0° |
| C23 | N22 | H26 | 119.8° | 120.0° |
| O5 | C6 | N7 | 112.1° | 120.0° |
| C6 | O5 | C4 | 113.4° | 117.0° |
| C6 | N7 | C9 | 123.3° | 120.0° |
| C6 | N7 | H27 | 118.3° | 120.0° |
| O5 | C4 | C1 | 105.8° | 109.4° |
| O5 | C4 | H22 | 110.4° | 109.5° |
| O5 | C4 | H23 | 110.4° | 109.5° |
| C4 | C1 | N | 110.4° | 109.5° |
| C4 | C1 | C | 113.7° | 109.5° |
| C4 | C1 | H19 | 108.0° | 109.5° |
| C1 | C4 | H22 | 110.4° | 109.4° |
| C1 | C4 | H23 | 110.4° | 109.5° |
| N22 | C20 | C15 | 122.0° | 120.5° |
| N22 | C20 | C19 | 120.3° | 120.5° |
| C20 | N22 | H26 | 119.8° | 120.1° |
| C14 | C13 | C3 | 111.7° | 109.5° |
| C13 | C14 | C15 | 113.9° | 109.5° |
| C14 | C13 | H6 | 108.9° | 109.5° |
| C14 | C13 | H7 | 108.9° | 109.5° |
| C13 | C14 | H20 | 108.4° | 109.5° |
| C13 | C14 | H21 | 108.4° | 109.5° |
| C13 | C3 | C2 | 107.5° | 109.5° |
| C13 | C3 | O | 107.4° | 109.5° |
| C13 | C3 | H3 | 110.1° | 109.5° |
| C3 | C13 | H6 | 108.9° | 109.5° |
| C3 | C13 | H7 | 108.9° | 109.5° |
| N | C2 | C3 | 111.5° | 109.2° |
| C2 | N | C1 | 116.6° | 110.8° |
| N | C2 | H1 | 109.0° | 109.5° |
| N | C2 | H2 | 109.0° | 109.6° |
| C2 | N | H28 | 107.7° | 111.0° |
| C2 | C3 | O | 110.3° | 109.3° |
| C3 | C2 | H1 | 109.0° | 109.5° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C2 | C3 | H3 | 110.0° | 109.5° |
| N7 | C9 | C10 | 110.4° | 109.5° |
| N7 | C9 | H4 | 109.2° | 109.5° |
| N7 | C9 | H5 | 109.2° | 109.4° |
| C9 | N7 | H27 | 118.4° | 120.0° |
| C14 | C15 | C20 | 121.3° | 120.8° |
| C14 | C15 | C16 | 120.9° | 120.9° |
| C15 | C14 | H20 | 108.4° | 109.4° |
| C15 | C14 | H21 | 108.4° | 109.5° |
| N | C1 | C | 108.6° | 109.2° |
| N | C1 | H19 | 108.3° | 109.5° |
| C1 | N | H28 | 107.7° | 110.9° |
| C3 | O | C | 111.0° | 113.7° |
| O | C3 | H3 | 111.4° | 109.6° |
| O | C | C1 | 110.6° | 109.3° |
| O | C | H17 | 109.2° | 109.5° |
| O | C | H18 | 109.2° | 109.6° |
| C1 | C | H17 | 109.2° | 109.5° |
| C1 | C | H18 | 109.2° | 109.5° |
| C | C1 | H19 | 107.8° | 109.5° |
| C15 | C20 | C19 | 117.7° | 119.0° |
| C20 | C15 | C16 | 117.8° | 118.4° |
| C20 | C19 | N18 | 125.2° | 120.7° |
| C20 | C19 | H15 | 117.4° | 119.6° |
| C9 | C10 | F12 | 110.4° | 109.4° |
| C9 | C10 | F11 | 112.1° | 109.5° |
| C9 | C10 | F | 111.9° | 109.4° |
| C10 | C9 | H4 | 109.2° | 109.5° |
| C10 | C9 | H5 | 109.2° | 109.4° |
| C15 | C16 | F21 | 120.7° | 120.4° |
| C15 | C16 | C17 | 120.5° | 119.2° |
| C19 | N18 | C17 | 116.2° | 121.8° |
| N18 | C19 | H15 | 117.4° | 119.7° |
| F12 | C10 | F11 | 110.1° | 109.5° |
| F12 | C10 | F | 107.1° | 109.5° |
| F11 | C10 | F | 105.0° | 109.5° |
| F21 | C16 | C17 | 118.8° | 120.4° |
| C16 | C17 | N18 | 122.6° | 120.9° |
| C16 | C17 | H16 | 118.7° | 119.6° |
| N18 | C17 | H16 | 118.7° | 119.5° |
| H1 | C2 | H2 | 109.5° | 109.6° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.4° | 109.5° |
| H22 | C4 | H23 | 109.5° | 109.5° |
| H30 | N26 | H31 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F40 | C38 | C37 | C39 | 178.5° | 179.1° |
| F40 | C38 | C37 | C36 | 179.1° | 180.0° |
| F40 | C38 | C39 | C29 | 179.5° | 179.7° |
| F40 | C38 | C39 | H13 | 0.5° | 0.3° |
| F40 | C38 | C37 | H14 | 0.9° | 0.9° |
| C38 | C37 | C36 | H14 | 180.0° | 179.1° |
| C38 | C37 | C36 | F41 | 179.9° | 179.5° |
| C38 | C37 | C36 | C35 | 0.1° | 0.6° |
| C37 | C38 | C39 | C29 | 1.0° | 0.6° |
| C37 | C38 | C39 | H13 | 179.0° | 179.4° |
| C36 | C37 | C38 | C39 | 0.6° | 0.9° |
| C37 | C36 | F41 | C35 | 180.0° | 179.9° |
| C37 | C36 | C35 | C29 | 0.0° | 0.0° |
| C37 | C36 | C35 | H12 | 180.0° | 179.7° |
| C38 | C39 | C29 | H13 | 180.0° | 180.0° |
| C38 | C39 | C29 | C35 | 0.9° | 0.0° |
| C38 | C39 | C29 | C27 | 178.5° | 179.9° |
| C39 | C38 | C37 | H14 | 179.4° | 180.0° |
| F41 | C36 | C35 | C29 | 180.0° | 179.9° |
| F41 | C36 | C35 | H12 | 0.0° | 0.2° |
| F41 | C36 | C37 | H14 | 0.1° | 0.4° |
| C36 | C35 | C29 | C39 | 0.4° | 0.3° |
| C36 | C35 | C29 | H12 | 180.0° | 179.7° |
| C36 | C35 | C29 | C27 | 178.0° | 179.8° |
| C35 | C36 | C37 | H14 | 179.9° | 179.7° |
| C39 | C29 | C35 | C27 | 177.7° | 179.9° |
| C39 | C29 | C27 | C28 | 71.4° | 141.6° |
| C39 | C29 | C27 | C24 | 54.1° | 98.3° |
| C39 | C29 | C35 | H12 | 179.6° | 180.0° |
| C39 | C29 | C27 | H24 | 173.6° | 21.7° |
| C35 | C29 | C27 | C28 | 106.2° | 38.5° |
| C35 | C29 | C27 | C24 | 128.4° | 81.5° |
| C35 | C29 | C39 | H13 | 179.1° | 180.0° |
| C35 | C29 | C27 | H24 | 8.8° | 158.5° |
| C29 | C27 | C28 | C34 | 78.0° | 97.5° |
| C29 | C27 | C28 | C24 | 127.7° | 120.0° |
| C29 | C27 | C28 | H24 | 115.1° | 120.0° |
| C29 | C27 | C28 | C30 | 98.5° | 82.5° |
| C29 | C27 | C24 | H24 | 119.7° | 120.0° |
| C29 | C27 | C24 | N26 | 44.7° | 53.9° |
| C29 | C27 | C24 | C23 | 160.5° | 66.1° |
| C27 | C29 | C35 | H12 | 2.0° | 0.1° |
| C27 | C29 | C39 | H13 | 1.6° | 0.1° |
| C29 | C27 | C24 | H25 | 78.4° | 173.9° |
| C34 | C33 | C32 | H11 | 180.0° | 179.7° |
| C34 | C33 | C32 | CL | 179.9° | 180.0° |
| C33 | C34 | C28 | H9 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.1° | 0.3° |
| C33 | C34 | C28 | C27 | 178.2° | 179.9° |
| C33 | C34 | C28 | C30 | 1.6° | 0.0° |
| C33 | C32 | CL | C31 | 179.9° | 179.7° |
| C32 | C33 | C34 | C28 | 0.8° | 0.3° |
| C33 | C32 | C31 | C30 | 0.2° | 0.1° |
| C32 | C33 | C34 | H9 | 179.2° | 179.7° |
| C33 | C32 | C31 | H10 | 179.8° | 180.0° |
| CL | C32 | C31 | C30 | 179.8° | 179.8° |
| CL | C32 | C31 | H10 | 0.2° | 0.3° |
| CL | C32 | C33 | H11 | 0.0° | 0.3° |
| C34 | C28 | C27 | C30 | 176.6° | 180.0° |
| C34 | C28 | C30 | C31 | 1.7° | 0.2° |
| C34 | C28 | C27 | C24 | 49.7° | 142.4° |
| C34 | C28 | C30 | H8 | 178.3° | 180.0° |
| C28 | C34 | C33 | H11 | 179.2° | 180.0° |
| C34 | C28 | C27 | H24 | 166.8° | 22.4° |
| C32 | C31 | C30 | C28 | 1.0° | 0.2° |
| C32 | C31 | C30 | H10 | 180.0° | 179.9° |
| C32 | C31 | C30 | H8 | 179.0° | 180.0° |
| C31 | C32 | C33 | H11 | 179.9° | 180.0° |
| C27 | C28 | C30 | C31 | 178.4° | 179.8° |
| C28 | C27 | C24 | H24 | 117.2° | 120.0° |
| C28 | C27 | C24 | N26 | 167.7° | 66.1° |
| C28 | C27 | C24 | C23 | 76.5° | 174.0° |
| C27 | C28 | C30 | H8 | 1.6° | 0.0° |
| C27 | C28 | C34 | H9 | 1.8° | 0.0° |
| C28 | C27 | C24 | H25 | 44.6° | 53.9° |
| C28 | C30 | C31 | H8 | 180.0° | 179.8° |
| C30 | C28 | C27 | C24 | 133.8° | 37.5° |
| C30 | C28 | C34 | H9 | 178.4° | 180.0° |
| C28 | C30 | C31 | H10 | 179.0° | 179.7° |
| C30 | C28 | C27 | H24 | 16.6° | 157.6° |
| C27 | C24 | N26 | C23 | 117.9° | 120.0° |
| C27 | C24 | N26 | H25 | 122.8° | 120.0° |
| C27 | C24 | C23 | H25 | 120.8° | 120.0° |
| C27 | C24 | C23 | N22 | 122.3° | 80.0° |
| C27 | C24 | C23 | O25 | 60.4° | 100.0° |
| C27 | C24 | N26 | H30 | 180.0° | 172.6° |
| C27 | C24 | N26 | H31 | 60.0° | 63.4° |
| N26 | C24 | C23 | H25 | 119.5° | 120.0° |
| N26 | C24 | C23 | N22 | 118.0° | 160.0° |
| N26 | C24 | C23 | O25 | 59.4° | 20.0° |
| N26 | C24 | C27 | H24 | 75.0° | 173.9° |
| C24 | N26 | H30 | H31 | 120.0° | 124.0° |
| C24 | C23 | N22 | O25 | 177.2° | 180.0° |
| C24 | C23 | N22 | C20 | 178.2° | 178.1° |
| C23 | C24 | C27 | H24 | 40.8° | 53.9° |
| C24 | C23 | N22 | H26 | 1.8° | 1.9° |
| C23 | C24 | N26 | H30 | 62.1° | 67.4° |
| C23 | C24 | N26 | H31 | 57.9° | 56.6° |
| O8 | C6 | O5 | N7 | 179.1° | 180.0° |
| O8 | C6 | O5 | C4 | 10.8° | 0.0° |
| O8 | C6 | N7 | C9 | 173.8° | 0.0° |
| O8 | C6 | N7 | H27 | 6.3° | 180.0° |
| C23 | N22 | C20 | H26 | 180.0° | 180.0° |
| C23 | N22 | C20 | C15 | 127.0° | 152.5° |
| C23 | N22 | C20 | C19 | 54.0° | 27.5° |
| N22 | C23 | C24 | H25 | 1.5° | 40.0° |
| O25 | C23 | N22 | C20 | 1.0° | 1.9° |
| O25 | C23 | C24 | H25 | 178.8° | 140.0° |
| O25 | C23 | N22 | H26 | 179.0° | 178.1° |
| C6 | O5 | C4 | C1 | 122.8° | 180.0° |
| O5 | C6 | N7 | C9 | 7.1° | 179.9° |
| C6 | O5 | C4 | H22 | 117.7° | 60.0° |
| C6 | O5 | C4 | H23 | 3.4° | 60.0° |
| O5 | C6 | N7 | H27 | 172.8° | 0.0° |
| N7 | C6 | O5 | C4 | 170.2° | 180.0° |
| C6 | N7 | C9 | H27 | 180.0° | 180.0° |
| C6 | N7 | C9 | C10 | 96.2° | 180.0° |
| C6 | N7 | C9 | H4 | 143.6° | 60.0° |
| C6 | N7 | C9 | H5 | 23.9° | 60.0° |
| O5 | C4 | C1 | H22 | 119.4° | 119.9° |
| O5 | C4 | C1 | H23 | 119.4° | 120.0° |
| O5 | C4 | C1 | N | 156.9° | 65.3° |
| O5 | C4 | C1 | C | 80.9° | 175.0° |
| O5 | C4 | C1 | H19 | 38.7° | 54.9° |
| O5 | C4 | H22 | H23 | 121.7° | 120.0° |
| C4 | C1 | N | C2 | 80.0° | 61.3° |
| C4 | C1 | N | C | 125.2° | 119.9° |
| C4 | C1 | N | H19 | 118.0° | 120.2° |
| C4 | C1 | C | O | 68.3° | 63.1° |
| C4 | C1 | C | H19 | 119.6° | 120.1° |
| C4 | C1 | C | H17 | 171.5° | 56.8° |
| C4 | C1 | C | H18 | 51.8° | 176.9° |
| C1 | C4 | H22 | H23 | 121.7° | 120.0° |
| C4 | C1 | N | H28 | 41.1° | 62.5° |
| N22 | C20 | C15 | C14 | 0.3° | 0.3° |
| N22 | C20 | C15 | C19 | 179.0° | 180.0° |
| N22 | C20 | C15 | C16 | 179.1° | 180.0° |
| N22 | C20 | C19 | N18 | 179.9° | 180.0° |
| N22 | C20 | C19 | H15 | 0.1° | 0.0° |
| C14 | C13 | C3 | H6 | 120.3° | 120.0° |
| C14 | C13 | C3 | H7 | 120.3° | 120.0° |
| C14 | C13 | C3 | C2 | 171.8° | 175.0° |
| C13 | C14 | C15 | H20 | 120.7° | 120.0° |
| C13 | C14 | C15 | H21 | 120.7° | 120.0° |
| C14 | C13 | C3 | O | 69.5° | 65.2° |
| C13 | C14 | C15 | C20 | 77.3° | 89.7° |
| C13 | C14 | C15 | C16 | 103.4° | 90.0° |
| C14 | C13 | C3 | H3 | 52.0° | 54.9° |
| C14 | C13 | H6 | H7 | 119.0° | 120.0° |
| C13 | C14 | H20 | H21 | 118.0° | 120.1° |
| C13 | C3 | C2 | N | 167.0° | 176.8° |
| C13 | C3 | C2 | O | 116.9° | 119.9° |
| C13 | C3 | C2 | H3 | 119.9° | 120.1° |
| C3 | C13 | C14 | C15 | 81.7° | 180.0° |
| C13 | C3 | O | H3 | 120.7° | 120.1° |
| C13 | C3 | O | C | 179.8° | 178.6° |
| C13 | C3 | C2 | H1 | 72.7° | 56.9° |
| C13 | C3 | C2 | H2 | 46.7° | 63.3° |
| C3 | C13 | H6 | H7 | 119.0° | 120.0° |
| C3 | C13 | C14 | H20 | 157.7° | 60.0° |
| C3 | C13 | C14 | H21 | 39.0° | 60.0° |
| N | C2 | C3 | H1 | 120.3° | 119.9° |
| N | C2 | C3 | H2 | 120.3° | 120.0° |
| C2 | N | C1 | H28 | 121.0° | 123.7° |
| N | C2 | C3 | O | 50.1° | 56.9° |
| C2 | N | C1 | C | 45.3° | 58.6° |
| N | C2 | H1 | H2 | 119.1° | 120.2° |
| N | C2 | C3 | H3 | 73.1° | 63.1° |
| C2 | N | C1 | H19 | 162.1° | 178.6° |
| C3 | C2 | N | C1 | 43.7° | 58.6° |
| C2 | C3 | O | H3 | 122.4° | 120.0° |
| C2 | C3 | O | C | 62.9° | 58.7° |
| C3 | C2 | H1 | H2 | 119.1° | 120.1° |
| C2 | C3 | C13 | H6 | 67.9° | 55.0° |
| C2 | C3 | C13 | H7 | 51.5° | 65.0° |
| C3 | C2 | N | H28 | 164.7° | 177.7° |
| N7 | C9 | C10 | H4 | 120.1° | 120.0° |
| N7 | C9 | C10 | H5 | 120.1° | 120.0° |
| N7 | C9 | C10 | F12 | 57.7° | 180.0° |
| N7 | C9 | C10 | F11 | 65.4° | 60.0° |
| N7 | C9 | C10 | F | 176.9° | 60.0° |
| N7 | C9 | H4 | H5 | 119.6° | 120.0° |
| C14 | C15 | C20 | C16 | 179.4° | 179.7° |
| C14 | C15 | C20 | C19 | 179.3° | 179.7° |
| C14 | C15 | C16 | F21 | 1.0° | 0.2° |
| C14 | C15 | C16 | C17 | 179.7° | 179.7° |
| C15 | C14 | C13 | H6 | 158.0° | 60.0° |
| C15 | C14 | C13 | H7 | 38.7° | 60.0° |
| C15 | C14 | H20 | H21 | 118.0° | 120.0° |
| N | C1 | C | O | 55.0° | 56.8° |
| N | C1 | C | H19 | 117.1° | 120.0° |
| C1 | N | C2 | H1 | 164.0° | 61.3° |
| C1 | N | C2 | H2 | 76.6° | 178.5° |
| N | C1 | C | H17 | 65.2° | 176.7° |
| N | C1 | C | H18 | 175.1° | 63.2° |
| N | C1 | C4 | H22 | 37.4° | 174.8° |
| N | C1 | C4 | H23 | 83.7° | 54.8° |
| C3 | O | C | C1 | 66.4° | 58.7° |
| O | C3 | C2 | H1 | 170.4° | 63.0° |
| O | C3 | C2 | H2 | 70.2° | 176.8° |
| O | C3 | C13 | H6 | 50.9° | 174.8° |
| O | C3 | C13 | H7 | 170.2° | 54.8° |
| C3 | O | C | H17 | 53.7° | 178.6° |
| C3 | O | C | H18 | 173.4° | 61.3° |
| O | C | C1 | H17 | 120.2° | 119.9° |
| O | C | C1 | H18 | 120.2° | 120.0° |
| C | O | C3 | H3 | 59.5° | 61.3° |
| O | C | H17 | H18 | 119.5° | 120.1° |
| O | C | C1 | H19 | 172.0° | 176.8° |
| C1 | C | H17 | H18 | 119.5° | 120.1° |
| C | C1 | C4 | H22 | 159.7° | 55.1° |
| C | C1 | C4 | H23 | 38.6° | 65.0° |
| C | C1 | N | H28 | 166.3° | 177.6° |
| C15 | C20 | C19 | N18 | 0.9° | 0.0° |
| C20 | C15 | C16 | F21 | 179.6° | 180.0° |
| C20 | C15 | C16 | C17 | 0.3° | 0.0° |
| C15 | C20 | C19 | H15 | 179.1° | 179.9° |
| C20 | C15 | C14 | H20 | 43.4° | 150.3° |
| C20 | C15 | C14 | H21 | 162.1° | 30.3° |
| C15 | C20 | N22 | H26 | 53.0° | 27.5° |
| C19 | C20 | C15 | C16 | 0.1° | 0.0° |
| C20 | C19 | N18 | H15 | 180.0° | 179.9° |
| C20 | C19 | N18 | C17 | 1.1° | 0.0° |
| C19 | C20 | N22 | H26 | 126.0° | 152.5° |
| C9 | C10 | F12 | F11 | 124.3° | 120.0° |
| C9 | C10 | F12 | F | 122.1° | 119.9° |
| C9 | C10 | F11 | F | 121.7° | 119.9° |
| C10 | C9 | H4 | H5 | 119.6° | 120.0° |
| C10 | C9 | N7 | H27 | 83.8° | 0.1° |
| C15 | C16 | F21 | C17 | 179.3° | 180.0° |
| C15 | C16 | C17 | N18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | H20 | 136.0° | 30.0° |
| C16 | C15 | C14 | H21 | 17.3° | 150.0° |
| C19 | N18 | C17 | C16 | 0.7° | 0.1° |
| C19 | N18 | C17 | H16 | 179.3° | 180.0° |
| F12 | C10 | F11 | F | 115.0° | 120.1° |
| F12 | C10 | C9 | H4 | 62.4° | 60.0° |
| F12 | C10 | C9 | H5 | 177.9° | 60.0° |
| F11 | C10 | C9 | H4 | 174.5° | 180.0° |
| F11 | C10 | C9 | H5 | 54.8° | 60.0° |
| F | C10 | C9 | H4 | 56.8° | 60.0° |
| F | C10 | C9 | H5 | 62.9° | 180.0° |
| F21 | C16 | C17 | N18 | 179.3° | 180.0° |
| F21 | C16 | C17 | H16 | 0.7° | 0.0° |
| C16 | C17 | N18 | H16 | 180.0° | 180.0° |
| C17 | N18 | C19 | H15 | 178.9° | 180.0° |
| H1 | C2 | C3 | H3 | 47.2° | 177.0° |
| H1 | C2 | N | H28 | 75.0° | 62.5° |
| H2 | C2 | C3 | H3 | 166.5° | 56.8° |
| H2 | C2 | N | H28 | 44.4° | 57.7° |
| H3 | C3 | C13 | H6 | 172.4° | 65.1° |
| H3 | C3 | C13 | H7 | 68.3° | 174.9° |
| H4 | C9 | N7 | H27 | 36.3° | 120.0° |
| H5 | C9 | N7 | H27 | 156.0° | 120.0° |
| H6 | C13 | C14 | H20 | 37.3° | 180.0° |
| H6 | C13 | C14 | H21 | 81.3° | 60.0° |
| H7 | C13 | C14 | H20 | 82.0° | 60.0° |
| H7 | C13 | C14 | H21 | 159.3° | 180.0° |
| H8 | C30 | C31 | H10 | 1.0° | 0.1° |
| H9 | C34 | C33 | H11 | 0.8° | 0.0° |
| H17 | C | C1 | H19 | 51.9° | 63.3° |
| H18 | C | C1 | H19 | 67.8° | 56.8° |
| H19 | C1 | C4 | H22 | 80.7° | 65.0° |
| H19 | C1 | C4 | H23 | 158.1° | 174.9° |
| H19 | C1 | N | H28 | 76.9° | 57.7° |
| H24 | C27 | C24 | H25 | 161.9° | 66.1° |
| H25 | C24 | N26 | H30 | 57.2° | 52.6° |
| H25 | C24 | N26 | H31 | 177.3° | 176.6° |
