A1L0R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C23 | sing | 1.40Å | 1.34Å | |
| C23 | F4 | sing | 1.40Å | 1.34Å | |
| C23 | F2 | sing | 1.40Å | 1.34Å | |
| C23 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | CL | sing | 1.74Å | 1.67Å | |
| C17 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N5 | sing | 1.40Å | 1.44Å | |
| N4 | N3 | doub | 1.29Å | 1.27Å | Aromatic |
| N4 | N2 | sing | 1.29Å | 1.37Å | Aromatic |
| O3 | C7 | sing | 1.43Å | 1.37Å | |
| N3 | C9 | sing | 1.35Å | 1.41Å | Aromatic |
| N5 | C1 | sing | 1.38Å | 1.40Å | |
| N5 | C16 | sing | 1.35Å | 1.41Å | |
| S | C16 | doub | 1.71Å | 1.62Å | |
| C2 | C7 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | O | sing | 1.43Å | 1.42Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| N2 | C8 | sing | 1.35Å | 1.38Å | Aromatic |
| C1 | N1 | doub | 1.29Å | 1.34Å | |
| C16 | N | sing | 1.35Å | 1.40Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.44Å | |
| C3 | O | sing | 1.43Å | 1.43Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| N1 | N | sing | 1.40Å | 1.38Å | |
| N | C | sing | 1.47Å | 1.49Å | |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | O2 | sing | 1.43Å | 1.39Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| O1 | C4 | sing | 1.43Å | 1.38Å | |
| C13 | BR | sing | 1.89Å | 1.92Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | F | sing | 1.35Å | 1.31Å | |
| C12 | F1 | sing | 1.35Å | 1.32Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C23 | F4 | 104.1° | 109.4° |
| F3 | C23 | F2 | 106.1° | 109.5° |
| F3 | C23 | C18 | 115.4° | 109.4° |
| F4 | C23 | F2 | 105.2° | 109.5° |
| F4 | C23 | C18 | 110.1° | 109.5° |
| F2 | C23 | C18 | 115.0° | 109.5° |
| C23 | C18 | C19 | 119.5° | 120.0° |
| C23 | C18 | C17 | 120.3° | 120.1° |
| C20 | C19 | C18 | 119.3° | 120.1° |
| C19 | C20 | C21 | 119.0° | 120.1° |
| C20 | C19 | H16 | 120.4° | 120.0° |
| C19 | C20 | H17 | 120.5° | 119.9° |
| C19 | C18 | C17 | 120.2° | 119.9° |
| C18 | C19 | H16 | 120.4° | 120.0° |
| C20 | C21 | C22 | 123.8° | 120.0° |
| C20 | C21 | CL | 117.9° | 120.0° |
| C21 | C20 | H17 | 120.5° | 119.9° |
| C18 | C17 | C22 | 120.8° | 119.9° |
| C18 | C17 | N5 | 122.8° | 120.0° |
| C22 | C21 | CL | 118.3° | 120.0° |
| C21 | C22 | C17 | 117.0° | 119.9° |
| C21 | C22 | H18 | 121.5° | 120.1° |
| C22 | C17 | N5 | 116.4° | 120.1° |
| C17 | C22 | H18 | 121.5° | 120.0° |
| C17 | N5 | C1 | 125.4° | 125.8° |
| C17 | N5 | C16 | 125.8° | 125.9° |
| N3 | N4 | N2 | 109.1° | 110.5° |
| N4 | N3 | C9 | 109.3° | 108.8° |
| N4 | N2 | C6 | 120.3° | 125.8° |
| N4 | N2 | C8 | 109.8° | 108.5° |
| O3 | C7 | C2 | 111.1° | 109.5° |
| O3 | C7 | C6 | 110.3° | 109.6° |
| O3 | C7 | H4 | 111.3° | 109.5° |
| C7 | O3 | H12 | 109.5° | 114.0° |
| N3 | C9 | C8 | 107.3° | 106.2° |
| N3 | C9 | C10 | 121.4° | 126.9° |
| C1 | N5 | C16 | 108.8° | 108.3° |
| N5 | C1 | C2 | 124.0° | 125.6° |
| N5 | C1 | N1 | 110.3° | 108.8° |
| N5 | C16 | S | 127.3° | 126.3° |
| N5 | C16 | N | 102.7° | 107.4° |
| S | C16 | N | 130.0° | 126.3° |
| C7 | C2 | C1 | 110.5° | 109.5° |
| C7 | C2 | O | 109.6° | 109.5° |
| C2 | C7 | C6 | 106.2° | 109.1° |
| C7 | C2 | H | 109.1° | 109.5° |
| C2 | C7 | H4 | 108.7° | 109.5° |
| C1 | C2 | O | 106.7° | 109.5° |
| C2 | C1 | N1 | 125.5° | 125.6° |
| C1 | C2 | H | 109.8° | 109.4° |
| C2 | O | C3 | 111.8° | 114.1° |
| O | C2 | H | 111.0° | 109.5° |
| N2 | C6 | C7 | 111.4° | 109.5° |
| N2 | C6 | C5 | 111.4° | 109.5° |
| C6 | N2 | C8 | 129.8° | 125.7° |
| N2 | C6 | H3 | 108.7° | 109.5° |
| C7 | C6 | C5 | 109.8° | 109.1° |
| C6 | C7 | H4 | 109.0° | 109.6° |
| C7 | C6 | H3 | 107.8° | 109.6° |
| C6 | C5 | C3 | 106.4° | 109.1° |
| C6 | C5 | O2 | 111.4° | 109.5° |
| C5 | C6 | H3 | 107.6° | 109.6° |
| C6 | C5 | H2 | 109.7° | 109.6° |
| N2 | C8 | C9 | 104.4° | 106.0° |
| N2 | C8 | H13 | 127.8° | 127.0° |
| C1 | N1 | N | 105.5° | 108.1° |
| C16 | N | N1 | 112.7° | 107.3° |
| C16 | N | C | 125.2° | 126.4° |
| C14 | C15 | C10 | 120.4° | 119.9° |
| C15 | C14 | C13 | 120.1° | 120.2° |
| C14 | C15 | H15 | 119.8° | 120.1° |
| C15 | C14 | H14 | 119.9° | 119.9° |
| C15 | C10 | C9 | 120.0° | 120.1° |
| C15 | C10 | C11 | 118.4° | 119.8° |
| C10 | C15 | H15 | 119.8° | 120.0° |
| C8 | C9 | C10 | 131.2° | 127.0° |
| C9 | C8 | H13 | 127.8° | 127.0° |
| C9 | C10 | C11 | 121.6° | 120.1° |
| O | C3 | C5 | 109.7° | 109.5° |
| O | C3 | C4 | 108.4° | 109.5° |
| O | C3 | H1 | 110.7° | 109.5° |
| C5 | C3 | C4 | 110.2° | 109.5° |
| C3 | C5 | O2 | 107.1° | 109.5° |
| C3 | C5 | H2 | 109.9° | 109.6° |
| C5 | C3 | H1 | 109.0° | 109.4° |
| C3 | C4 | O1 | 107.9° | 109.4° |
| C4 | C3 | H1 | 108.9° | 109.5° |
| C3 | C4 | H9 | 109.9° | 109.5° |
| C3 | C4 | H8 | 109.8° | 109.5° |
| N1 | N | C | 122.1° | 126.3° |
| N | C | H7 | 109.5° | 109.4° |
| N | C | H5 | 109.4° | 109.5° |
| N | C | H6 | 109.4° | 109.5° |
| C14 | C13 | BR | 117.8° | 119.8° |
| C14 | C13 | C12 | 121.1° | 120.2° |
| C13 | C14 | H14 | 119.9° | 119.9° |
| O2 | C5 | H2 | 112.2° | 109.5° |
| C5 | O2 | H11 | 109.5° | 114.0° |
| C10 | C11 | C12 | 121.0° | 119.8° |
| C10 | C11 | F | 122.3° | 120.1° |
| O1 | C4 | H9 | 109.9° | 109.5° |
| O1 | C4 | H8 | 109.9° | 109.5° |
| C4 | O1 | H10 | 109.5° | 113.9° |
| BR | C13 | C12 | 121.0° | 119.9° |
| C13 | C12 | C11 | 119.0° | 120.0° |
| C13 | C12 | F1 | 123.2° | 120.0° |
| C12 | C11 | F | 116.7° | 120.1° |
| C11 | C12 | F1 | 117.7° | 120.0° |
| H7 | C | H5 | 109.5° | 109.5° |
| H7 | C | H6 | 109.5° | 109.4° |
| H5 | C | H6 | 109.5° | 109.5° |
| H9 | C4 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C23 | F4 | F2 | 111.3° | 120.0° |
| F3 | C23 | F4 | C18 | 124.2° | 119.9° |
| F3 | C23 | F2 | C18 | 128.8° | 120.0° |
| F3 | C23 | C18 | C19 | 4.0° | 120.3° |
| F3 | C23 | C18 | C17 | 174.5° | 60.1° |
| F4 | C23 | F2 | C18 | 121.3° | 120.1° |
| F4 | C23 | C18 | C19 | 121.4° | 0.4° |
| F4 | C23 | C18 | C17 | 57.1° | 180.0° |
| F2 | C23 | C18 | C19 | 120.0° | 119.7° |
| F2 | C23 | C18 | C17 | 61.4° | 59.9° |
| C23 | C18 | C19 | C20 | 177.9° | 179.7° |
| C23 | C18 | C19 | C17 | 178.5° | 179.6° |
| C23 | C18 | C17 | C22 | 178.4° | 179.7° |
| C23 | C18 | C17 | N5 | 4.9° | 0.4° |
| C23 | C18 | C19 | H16 | 2.1° | 0.2° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.0° |
| C19 | C20 | C21 | CL | 178.8° | 180.0° |
| C18 | C19 | C20 | C21 | 0.9° | 0.0° |
| C19 | C18 | C17 | C22 | 0.1° | 0.1° |
| C19 | C18 | C17 | N5 | 176.6° | 180.0° |
| C18 | C19 | C20 | H17 | 179.1° | 180.0° |
| C20 | C21 | C22 | CL | 179.5° | 180.0° |
| C20 | C21 | C22 | C17 | 0.2° | 0.0° |
| C21 | C20 | C19 | H16 | 179.0° | 179.9° |
| C20 | C21 | C22 | H18 | 179.8° | 180.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.1° |
| C18 | C17 | C22 | N5 | 176.9° | 179.9° |
| C18 | C17 | N5 | C1 | 85.9° | 90.0° |
| C18 | C17 | N5 | C16 | 95.5° | 90.1° |
| C17 | C18 | C19 | H16 | 179.4° | 179.9° |
| C18 | C17 | C22 | H18 | 179.9° | 180.0° |
| C21 | C22 | C17 | H18 | 180.0° | 180.0° |
| C21 | C22 | C17 | N5 | 177.0° | 180.0° |
| C22 | C21 | C20 | H17 | 179.3° | 180.0° |
| CL | C21 | C22 | C17 | 179.3° | 180.0° |
| CL | C21 | C20 | H17 | 1.2° | 0.0° |
| CL | C21 | C22 | H18 | 0.7° | 0.0° |
| C22 | C17 | N5 | C1 | 90.9° | 90.0° |
| C22 | C17 | N5 | C16 | 87.7° | 90.0° |
| C17 | N5 | C1 | C16 | 178.8° | 180.0° |
| C17 | N5 | C16 | S | 2.2° | 0.2° |
| C17 | N5 | C1 | C2 | 5.8° | 0.1° |
| C17 | N5 | C1 | N1 | 179.9° | 180.0° |
| C17 | N5 | C16 | N | 179.5° | 180.0° |
| N5 | C17 | C22 | H18 | 3.0° | 0.0° |
| N3 | N4 | N2 | C6 | 178.7° | 180.0° |
| N3 | N4 | N2 | C8 | 0.1° | 0.2° |
| N4 | N3 | C9 | C8 | 0.5° | 0.3° |
| N4 | N3 | C9 | C10 | 178.6° | 179.9° |
| N2 | N4 | N3 | C9 | 0.4° | 0.1° |
| N4 | N2 | C6 | C8 | 178.5° | 179.7° |
| N4 | N2 | C6 | C7 | 117.3° | 94.7° |
| N4 | N2 | C6 | C5 | 119.7° | 145.7° |
| N4 | N2 | C8 | C9 | 0.2° | 0.4° |
| N4 | N2 | C6 | H3 | 1.4° | 25.5° |
| N4 | N2 | C8 | H13 | 179.8° | 179.8° |
| O3 | C7 | C2 | C6 | 120.0° | 120.0° |
| O3 | C7 | C2 | H4 | 122.9° | 120.1° |
| O3 | C7 | C2 | C1 | 62.0° | 62.4° |
| O3 | C7 | C2 | O | 179.3° | 177.6° |
| O3 | C7 | C6 | N2 | 57.1° | 63.2° |
| O3 | C7 | C6 | H4 | 122.5° | 120.2° |
| O3 | C7 | C6 | C5 | 179.1° | 176.9° |
| O3 | C7 | C2 | H | 58.9° | 57.6° |
| O3 | C7 | C6 | H3 | 62.1° | 56.9° |
| N3 | C9 | C8 | N2 | 0.4° | 0.4° |
| N3 | C9 | C10 | C15 | 31.6° | 0.0° |
| N3 | C9 | C8 | C10 | 178.9° | 179.7° |
| N3 | C9 | C10 | C11 | 147.0° | 179.7° |
| N3 | C9 | C8 | H13 | 179.6° | 179.7° |
| C1 | N5 | C16 | S | 176.7° | 179.7° |
| N5 | C1 | C2 | C7 | 159.8° | 165.0° |
| N5 | C1 | C2 | N1 | 173.2° | 179.9° |
| N5 | C1 | C2 | O | 81.1° | 75.0° |
| C1 | N5 | C16 | N | 0.7° | 0.0° |
| N5 | C1 | N1 | N | 1.0° | 0.0° |
| N5 | C1 | C2 | H | 39.4° | 45.0° |
| N5 | C16 | S | N | 176.6° | 179.7° |
| C16 | N5 | C1 | C2 | 173.0° | 179.9° |
| C16 | N5 | C1 | N1 | 1.1° | 0.0° |
| N5 | C16 | N | N1 | 0.1° | 0.0° |
| N5 | C16 | N | C | 178.1° | 180.0° |
| S | C16 | N | N1 | 177.2° | 179.7° |
| S | C16 | N | C | 0.8° | 0.3° |
| C7 | C2 | C1 | O | 119.1° | 120.0° |
| C7 | C2 | C1 | H | 120.5° | 120.0° |
| C7 | C2 | O | H | 120.7° | 120.0° |
| C2 | C7 | C6 | N2 | 177.6° | 176.8° |
| C2 | C7 | C6 | H4 | 117.0° | 119.9° |
| C2 | C7 | C6 | C5 | 58.5° | 57.0° |
| C7 | C2 | C1 | N1 | 26.9° | 15.1° |
| C7 | C2 | O | C3 | 65.5° | 61.1° |
| C2 | C7 | O3 | H12 | 180.0° | 59.9° |
| C2 | C7 | C6 | H3 | 58.4° | 63.0° |
| C1 | C2 | O | H | 119.6° | 119.9° |
| C1 | C2 | C7 | C6 | 178.0° | 177.6° |
| C1 | C2 | O | C3 | 174.8° | 178.8° |
| C2 | C1 | N1 | N | 173.0° | 179.9° |
| C1 | C2 | C7 | H4 | 60.9° | 57.7° |
| O | C2 | C7 | C6 | 60.7° | 57.6° |
| O | C2 | C1 | N1 | 92.2° | 104.9° |
| C2 | O | C3 | C5 | 65.1° | 61.1° |
| C2 | O | C3 | C4 | 174.5° | 178.9° |
| O | C2 | C7 | H4 | 56.4° | 62.3° |
| C2 | O | C3 | H1 | 55.1° | 58.9° |
| N2 | C6 | C7 | C5 | 123.8° | 119.9° |
| N2 | C6 | C7 | H3 | 119.2° | 120.1° |
| N2 | C6 | C5 | H3 | 119.0° | 120.2° |
| C6 | N2 | C8 | C9 | 178.8° | 179.8° |
| N2 | C6 | C5 | C3 | 177.8° | 176.8° |
| N2 | C6 | C5 | O2 | 65.8° | 57.0° |
| N2 | C6 | C7 | H4 | 65.4° | 57.0° |
| N2 | C6 | C5 | H2 | 59.0° | 63.2° |
| C6 | N2 | C8 | H13 | 1.2° | 0.0° |
| C7 | C6 | C5 | H3 | 117.1° | 120.0° |
| C7 | C6 | N2 | C8 | 61.2° | 85.0° |
| C7 | C6 | C5 | C3 | 58.3° | 57.0° |
| C7 | C6 | C5 | O2 | 58.1° | 62.9° |
| C6 | C7 | C2 | H | 61.1° | 62.4° |
| C6 | C7 | O3 | H12 | 62.4° | 179.7° |
| C7 | C6 | C5 | H2 | 177.1° | 177.0° |
| C5 | C6 | N2 | C8 | 61.8° | 34.6° |
| C6 | C5 | C3 | O | 59.4° | 57.6° |
| C6 | C5 | C3 | O2 | 119.2° | 119.8° |
| C6 | C5 | C3 | H2 | 118.7° | 120.0° |
| C6 | C5 | C3 | C4 | 178.7° | 177.6° |
| C6 | C5 | O2 | H2 | 123.4° | 120.2° |
| C5 | C6 | C7 | H4 | 58.4° | 62.9° |
| C6 | C5 | O2 | H11 | 180.0° | 180.0° |
| C6 | C5 | C3 | H1 | 61.9° | 62.5° |
| N2 | C8 | C9 | H13 | 180.0° | 179.8° |
| N2 | C8 | C9 | C10 | 178.5° | 179.8° |
| C8 | N2 | C6 | H3 | 179.9° | 154.8° |
| C1 | N1 | N | C16 | 0.6° | 0.0° |
| C1 | N1 | N | C | 177.5° | 180.0° |
| N1 | C1 | C2 | H | 147.4° | 135.1° |
| C16 | N | N1 | C | 178.1° | 180.0° |
| C16 | N | C | H7 | 177.8° | 90.0° |
| C16 | N | C | H5 | 62.2° | 150.0° |
| C16 | N | C | H6 | 57.8° | 29.9° |
| C14 | C15 | C10 | H15 | 180.0° | 180.0° |
| C14 | C15 | C10 | C9 | 177.0° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 1.6° | 0.3° |
| C15 | C14 | C13 | BR | 177.6° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.2° |
| C15 | C10 | C9 | C8 | 149.6° | 179.7° |
| C15 | C10 | C9 | C11 | 178.5° | 179.7° |
| C10 | C15 | C14 | C13 | 1.2° | 0.1° |
| C15 | C10 | C11 | C12 | 1.0° | 0.3° |
| C15 | C10 | C11 | F | 176.8° | 179.8° |
| C10 | C15 | C14 | H14 | 178.8° | 180.0° |
| C8 | C9 | C10 | C11 | 31.8° | 0.0° |
| C9 | C10 | C11 | C12 | 177.6° | 180.0° |
| C9 | C10 | C11 | F | 4.6° | 0.1° |
| C9 | C10 | C15 | H15 | 3.0° | 0.0° |
| C10 | C9 | C8 | H13 | 1.5° | 0.0° |
| O | C3 | C5 | C4 | 119.3° | 120.0° |
| O | C3 | C5 | H1 | 121.3° | 120.0° |
| O | C3 | C4 | H1 | 120.5° | 120.1° |
| O | C3 | C5 | O2 | 59.8° | 62.3° |
| O | C3 | C4 | O1 | 63.7° | 65.0° |
| C3 | O | C2 | H | 55.2° | 58.9° |
| O | C3 | C5 | H2 | 178.1° | 177.6° |
| O | C3 | C4 | H9 | 176.5° | 175.0° |
| O | C3 | C4 | H8 | 56.1° | 55.0° |
| C5 | C3 | C4 | H1 | 119.4° | 119.9° |
| C3 | C5 | O2 | H2 | 120.6° | 120.2° |
| C5 | C3 | C4 | O1 | 176.2° | 175.0° |
| C3 | C5 | C6 | H3 | 58.8° | 63.0° |
| C3 | C5 | O2 | H11 | 64.0° | 60.3° |
| C5 | C3 | C4 | H9 | 56.4° | 55.0° |
| C5 | C3 | C4 | H8 | 64.0° | 65.0° |
| C4 | C3 | C5 | O2 | 59.5° | 57.7° |
| C3 | C4 | O1 | H9 | 119.8° | 120.0° |
| C3 | C4 | O1 | H8 | 119.7° | 120.0° |
| C4 | C3 | C5 | H2 | 62.6° | 62.4° |
| C3 | C4 | H9 | H8 | 120.7° | 120.0° |
| C3 | C4 | O1 | H10 | 180.0° | 180.0° |
| N1 | N | C | H7 | 0.0° | 90.1° |
| N1 | N | C | H5 | 120.0° | 29.9° |
| N1 | N | C | H6 | 120.0° | 150.0° |
| N | C | H7 | H5 | 120.0° | 120.0° |
| N | C | H7 | H6 | 120.0° | 120.0° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| C14 | C13 | BR | C12 | 177.6° | 179.8° |
| C14 | C13 | C12 | C11 | 0.7° | 0.2° |
| C14 | C13 | C12 | F1 | 174.9° | 179.7° |
| C13 | C14 | C15 | H15 | 178.9° | 180.0° |
| O2 | C5 | C6 | H3 | 175.2° | 177.1° |
| O2 | C5 | C3 | H1 | 178.9° | 177.7° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | F | 177.9° | 179.9° |
| C10 | C11 | C12 | F1 | 175.6° | 180.0° |
| C11 | C10 | C15 | H15 | 178.4° | 179.7° |
| O1 | C4 | C3 | H1 | 56.8° | 55.1° |
| O1 | C4 | H9 | H8 | 120.7° | 120.1° |
| BR | C13 | C12 | C11 | 178.2° | 180.0° |
| BR | C13 | C12 | F1 | 2.6° | 0.0° |
| BR | C13 | C14 | H14 | 2.4° | 0.0° |
| C13 | C12 | C11 | F1 | 175.8° | 180.0° |
| C13 | C12 | C11 | F | 178.1° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.7° |
| F | C11 | C12 | F1 | 2.3° | 0.1° |
| H15 | C15 | C14 | H14 | 1.1° | 0.0° |
| H16 | C19 | C20 | H17 | 0.9° | 0.1° |
| H7 | C | H5 | H6 | 120.0° | 120.0° |
| H | C2 | C7 | H4 | 178.2° | 177.7° |
| H4 | C7 | O3 | H12 | 58.6° | 60.1° |
| H4 | C7 | C6 | H3 | 175.4° | 177.1° |
| H3 | C6 | C5 | H2 | 60.0° | 57.0° |
| H2 | C5 | O2 | H11 | 56.6° | 59.9° |
| H2 | C5 | C3 | H1 | 56.8° | 57.5° |
| H1 | C3 | C4 | H9 | 63.0° | 64.9° |
| H1 | C3 | C4 | H8 | 176.5° | 175.1° |
| H9 | C4 | O1 | H10 | 60.2° | 60.0° |
| H8 | C4 | O1 | H10 | 60.3° | 60.0° |
