A1IT6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.40Å | 1.41Å | |
| C | C1 | sing | 1.53Å | 1.58Å | |
| C1 | N | sing | 1.46Å | 1.46Å | |
| N | N2 | sing | 1.29Å | 1.35Å | Aromatic |
| N | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 1.31Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.37Å | Aromatic |
| N1 | C3 | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| C10 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C14 | sing | 1.38Å | 1.39Å | |
| C14 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| N4 | C15 | sing | 1.32Å | 1.32Å | Aromatic |
| N6 | C17 | sing | 1.35Å | 1.39Å | Aromatic |
| N6 | C18 | doub | 1.30Å | 1.31Å | Aromatic |
| C17 | C16 | doub | 1.41Å | 1.39Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.74Å | |
| C15 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | N5 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| N7 | C19 | sing | 1.47Å | 1.45Å | |
| C24 | O8 | sing | 1.43Å | 1.42Å | |
| C24 | C23 | sing | 1.55Å | 1.53Å | |
| C24 | C19 | sing | 1.55Å | 1.53Å | |
| C23 | O7 | sing | 1.43Å | 1.42Å | |
| C23 | C20 | sing | 1.54Å | 1.52Å | |
| C19 | O | sing | 1.44Å | 1.41Å | |
| O4 | P1 | doub | 1.48Å | 1.49Å | |
| O | C20 | sing | 1.44Å | 1.44Å | |
| O6 | P1 | sing | 1.61Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | O1 | sing | 1.43Å | 1.44Å | |
| P1 | C22 | sing | 1.82Å | 1.80Å | |
| P1 | O5 | sing | 1.61Å | 1.54Å | |
| C22 | P | sing | 1.82Å | 1.80Å | |
| O1 | P | sing | 1.61Å | 1.57Å | |
| P | O3 | doub | 1.48Å | 1.56Å | |
| P | O2 | sing | 1.61Å | 1.51Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| O6 | H18 | sing | 0.97Å | 0.95Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| O7 | H21 | sing | 0.97Å | 0.95Å | |
| O8 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.08Å | 1.08Å | |
| C8 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | C1 | 109.1° | 109.5° |
| F | C | H31 | 109.6° | 109.5° |
| F | C | H32 | 109.6° | 109.5° |
| C | C1 | N | 112.2° | 109.5° |
| C | C1 | H29 | 108.8° | 109.5° |
| C | C1 | H30 | 108.8° | 109.4° |
| C1 | C | H31 | 109.6° | 109.5° |
| C1 | C | H32 | 109.6° | 109.4° |
| C1 | N | N2 | 121.1° | 125.7° |
| C1 | N | C2 | 128.0° | 125.7° |
| N | C1 | H29 | 108.8° | 109.5° |
| N | C1 | H30 | 108.8° | 109.5° |
| N2 | N | C2 | 111.0° | 108.5° |
| N | N2 | N1 | 107.0° | 110.5° |
| N | C2 | C3 | 105.2° | 106.0° |
| N | C2 | H1 | 127.4° | 127.0° |
| N2 | N1 | C3 | 109.1° | 108.7° |
| C2 | C3 | N1 | 107.7° | 106.2° |
| C2 | C3 | C4 | 129.5° | 126.9° |
| C3 | C2 | H1 | 127.4° | 127.0° |
| N1 | C3 | C4 | 122.7° | 126.9° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C3 | C4 | C9 | 120.6° | 120.1° |
| C5 | C4 | C9 | 118.3° | 119.8° |
| C4 | C5 | C6 | 120.5° | 119.8° |
| C4 | C5 | H26 | 119.7° | 120.1° |
| C4 | C9 | C8 | 120.7° | 119.9° |
| C4 | C9 | H28 | 119.6° | 120.1° |
| C5 | C6 | C7 | 121.2° | 120.2° |
| C5 | C6 | H3 | 119.5° | 120.0° |
| C6 | C5 | H26 | 119.7° | 120.1° |
| C9 | C8 | C7 | 121.0° | 120.1° |
| C9 | C8 | H27 | 119.5° | 120.0° |
| C8 | C9 | H28 | 119.6° | 120.0° |
| C13 | C12 | C11 | 111.9° | 109.5° |
| C13 | C12 | H6 | 108.9° | 109.5° |
| C13 | C12 | H7 | 108.9° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C6 | C7 | C8 | 118.1° | 120.2° |
| C6 | C7 | C10 | 121.0° | 119.9° |
| C7 | C6 | H3 | 119.4° | 119.9° |
| C8 | C7 | C10 | 120.5° | 119.9° |
| C7 | C8 | H27 | 119.5° | 119.9° |
| C12 | C11 | N3 | 113.5° | 109.5° |
| C11 | C12 | H6 | 108.9° | 109.5° |
| C11 | C12 | H7 | 108.9° | 109.5° |
| C12 | C11 | H24 | 108.5° | 109.5° |
| C12 | C11 | H25 | 108.4° | 109.5° |
| C7 | C10 | N3 | 114.6° | 109.4° |
| C7 | C10 | H4 | 108.2° | 109.5° |
| C7 | C10 | H5 | 108.2° | 109.5° |
| C11 | N3 | C10 | 117.1° | 111.0° |
| C11 | N3 | C14 | 122.4° | 111.1° |
| N3 | C11 | H24 | 108.5° | 109.5° |
| N3 | C11 | H25 | 108.4° | 109.4° |
| C10 | N3 | C14 | 120.5° | 111.0° |
| N3 | C10 | H4 | 108.2° | 109.5° |
| N3 | C10 | H5 | 108.2° | 109.5° |
| N3 | C14 | N4 | 117.1° | 120.7° |
| N3 | C14 | C17 | 124.3° | 120.8° |
| N4 | C14 | C17 | 118.6° | 118.5° |
| C14 | N4 | C15 | 117.8° | 121.2° |
| C14 | C17 | N6 | 133.8° | 134.7° |
| C14 | C17 | C16 | 115.6° | 118.2° |
| N4 | C15 | CL | 115.0° | 118.8° |
| N4 | C15 | N5 | 130.2° | 122.4° |
| C17 | N6 | C18 | 103.7° | 109.4° |
| N6 | C17 | C16 | 110.6° | 107.1° |
| N6 | C18 | N7 | 114.1° | 110.0° |
| N6 | C18 | H11 | 122.9° | 125.0° |
| C17 | C16 | N5 | 127.1° | 119.1° |
| C17 | C16 | N7 | 105.9° | 106.0° |
| CL | C15 | N5 | 114.6° | 118.8° |
| C15 | N5 | C16 | 110.7° | 120.7° |
| C18 | N7 | C16 | 105.7° | 107.4° |
| C18 | N7 | C19 | 128.5° | 126.3° |
| N7 | C18 | H11 | 123.0° | 125.0° |
| N5 | C16 | N7 | 127.1° | 134.9° |
| C16 | N7 | C19 | 125.8° | 126.3° |
| N7 | C19 | C24 | 113.4° | 110.6° |
| N7 | C19 | O | 109.2° | 110.6° |
| N7 | C19 | H23 | 108.9° | 110.5° |
| O8 | C24 | C23 | 114.7° | 110.9° |
| O8 | C24 | C19 | 110.1° | 110.9° |
| O8 | C24 | H17 | 110.5° | 110.8° |
| C24 | O8 | H22 | 109.5° | 114.0° |
| C23 | C24 | C19 | 103.5° | 102.1° |
| C24 | C23 | O7 | 113.5° | 110.5° |
| C24 | C23 | C20 | 103.3° | 104.2° |
| C24 | C23 | H16 | 108.6° | 110.6° |
| C23 | C24 | H17 | 108.9° | 110.9° |
| C24 | C19 | O | 107.9° | 103.5° |
| C19 | C24 | H17 | 108.9° | 111.0° |
| C24 | C19 | H23 | 107.9° | 110.6° |
| O7 | C23 | C20 | 112.1° | 110.5° |
| O7 | C23 | H16 | 110.2° | 110.5° |
| C23 | O7 | H21 | 109.5° | 114.0° |
| C23 | C20 | O | 103.8° | 107.3° |
| C23 | C20 | C21 | 114.9° | 109.9° |
| C20 | C23 | H16 | 108.8° | 110.5° |
| C23 | C20 | H20 | 108.9° | 109.9° |
| C19 | O | C20 | 107.7° | 106.9° |
| O | C19 | H23 | 109.5° | 110.8° |
| O4 | P1 | O6 | 110.7° | 109.5° |
| O4 | P1 | C22 | 112.3° | 109.5° |
| O4 | P1 | O5 | 111.6° | 109.5° |
| O | C20 | C21 | 109.9° | 109.8° |
| O | C20 | H20 | 110.1° | 110.0° |
| O6 | P1 | C22 | 105.6° | 109.5° |
| O6 | P1 | O5 | 109.8° | 109.4° |
| P1 | O6 | H18 | 109.5° | 114.0° |
| C20 | C21 | O1 | 109.2° | 109.5° |
| C20 | C21 | H12 | 109.5° | 109.5° |
| C20 | C21 | H13 | 109.5° | 109.4° |
| C21 | C20 | H20 | 109.1° | 109.9° |
| C21 | O1 | P | 123.4° | 123.1° |
| O1 | C21 | H12 | 109.5° | 109.4° |
| O1 | C21 | H13 | 109.5° | 109.5° |
| C22 | P1 | O5 | 106.6° | 109.5° |
| P1 | C22 | P | 116.3° | 109.5° |
| P1 | C22 | H14 | 107.8° | 109.5° |
| P1 | C22 | H15 | 107.8° | 109.5° |
| P1 | O5 | H2 | 109.5° | 114.0° |
| C22 | P | O1 | 102.5° | 109.5° |
| C22 | P | O3 | 107.0° | 109.5° |
| C22 | P | O2 | 117.7° | 109.5° |
| P | C22 | H14 | 107.7° | 109.5° |
| P | C22 | H15 | 107.7° | 109.5° |
| O1 | P | O3 | 107.7° | 109.4° |
| O1 | P | O2 | 114.1° | 109.5° |
| O3 | P | O2 | 107.3° | 109.4° |
| P | O2 | H19 | 109.5° | 114.0° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H10 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.4° | 109.4° |
| H24 | C11 | H25 | 109.5° | 109.4° |
| H29 | C1 | H30 | 109.5° | 109.5° |
| H31 | C | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C1 | H31 | 119.9° | 120.0° |
| F | C | C1 | H32 | 120.0° | 120.0° |
| F | C | C1 | N | 171.4° | 180.0° |
| F | C | C1 | H29 | 51.0° | 60.0° |
| F | C | C1 | H30 | 68.2° | 60.0° |
| F | C | H31 | H32 | 120.2° | 120.0° |
| C | C1 | N | H29 | 120.4° | 120.0° |
| C | C1 | N | H30 | 120.4° | 120.0° |
| C | C1 | N | N2 | 99.6° | 55.1° |
| C | C1 | N | C2 | 78.8° | 125.0° |
| C | C1 | H29 | H30 | 118.8° | 119.9° |
| C1 | C | H31 | H32 | 120.2° | 119.9° |
| C1 | N | N2 | C2 | 178.6° | 179.9° |
| C1 | N | N2 | N1 | 178.3° | 179.9° |
| C1 | N | C2 | C3 | 177.9° | 179.9° |
| C1 | N | C2 | H1 | 2.1° | 0.0° |
| N | C1 | H29 | H30 | 118.8° | 120.0° |
| N | C1 | C | H31 | 68.6° | 60.0° |
| N | C1 | C | H32 | 51.5° | 60.0° |
| N2 | N | C2 | C3 | 0.6° | 0.0° |
| N | N2 | N1 | C3 | 0.0° | 0.0° |
| N2 | N | C2 | H1 | 179.4° | 179.9° |
| N2 | N | C1 | H29 | 20.8° | 64.9° |
| N2 | N | C1 | H30 | 140.0° | 175.0° |
| C2 | N | N2 | N1 | 0.3° | 0.0° |
| N | C2 | C3 | H1 | 180.0° | 179.9° |
| N | C2 | C3 | N1 | 0.6° | 0.0° |
| N | C2 | C3 | C4 | 179.1° | 180.0° |
| C2 | N | C1 | H29 | 160.8° | 115.0° |
| C2 | N | C1 | H30 | 41.6° | 5.0° |
| N2 | N1 | C3 | C2 | 0.4° | 0.0° |
| N2 | N1 | C3 | C4 | 179.3° | 180.0° |
| C2 | C3 | N1 | C4 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 144.9° | 180.0° |
| C2 | C3 | C4 | C9 | 29.2° | 0.2° |
| N1 | C3 | C4 | C5 | 34.8° | 0.0° |
| N1 | C3 | C4 | C9 | 151.2° | 179.8° |
| N1 | C3 | C2 | H1 | 179.4° | 180.0° |
| C3 | C4 | C5 | C9 | 174.2° | 179.8° |
| C3 | C4 | C5 | C6 | 171.4° | 179.7° |
| C3 | C4 | C9 | C8 | 171.5° | 179.8° |
| C4 | C3 | C2 | H1 | 0.9° | 0.1° |
| C3 | C4 | C5 | H26 | 8.5° | 0.2° |
| C3 | C4 | C9 | H28 | 8.5° | 0.2° |
| C4 | C5 | C6 | H26 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 2.7° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C5 | C4 | C9 | H28 | 177.3° | 180.0° |
| C9 | C4 | C5 | C6 | 2.8° | 0.1° |
| C4 | C9 | C8 | H28 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C4 | C5 | H26 | 177.3° | 180.0° |
| C4 | C9 | C8 | H27 | 179.7° | 179.9° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 3.1° | 0.1° |
| C5 | C6 | C7 | C10 | 170.4° | 180.0° |
| C9 | C8 | C7 | C6 | 3.2° | 0.0° |
| C9 | C8 | C7 | H27 | 180.0° | 180.0° |
| C9 | C8 | C7 | C10 | 170.3° | 180.0° |
| C13 | C12 | C11 | H6 | 120.3° | 120.0° |
| C13 | C12 | C11 | H7 | 120.4° | 120.0° |
| C13 | C12 | C11 | N3 | 163.6° | 175.0° |
| C13 | C12 | H6 | H7 | 118.9° | 120.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H10 | 120.0° | 120.0° |
| C12 | C13 | H9 | H10 | 120.0° | 119.9° |
| C13 | C12 | C11 | H24 | 43.0° | 54.9° |
| C13 | C12 | C11 | H25 | 75.8° | 65.0° |
| C6 | C7 | C8 | C10 | 173.5° | 180.0° |
| C6 | C7 | C10 | N3 | 61.8° | 85.4° |
| C6 | C7 | C10 | H4 | 58.9° | 34.6° |
| C6 | C7 | C10 | H5 | 177.4° | 154.6° |
| C7 | C6 | C5 | H26 | 179.9° | 180.0° |
| C6 | C7 | C8 | H27 | 176.8° | 179.9° |
| C8 | C7 | C10 | N3 | 111.5° | 94.6° |
| C8 | C7 | C6 | H3 | 177.0° | 180.0° |
| C8 | C7 | C10 | H4 | 127.8° | 145.4° |
| C8 | C7 | C10 | H5 | 9.3° | 25.4° |
| C7 | C8 | C9 | H28 | 179.7° | 180.0° |
| C12 | C11 | N3 | H24 | 120.6° | 120.1° |
| C12 | C11 | N3 | H25 | 120.6° | 120.0° |
| C12 | C11 | N3 | C10 | 103.0° | 71.6° |
| C12 | C11 | N3 | C14 | 75.9° | 164.4° |
| C11 | C12 | H6 | H7 | 118.9° | 120.0° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | H9 | 60.0° | 59.9° |
| C11 | C12 | C13 | H10 | 60.0° | 60.0° |
| C12 | C11 | H24 | H25 | 118.1° | 120.0° |
| C7 | C10 | N3 | C11 | 57.9° | 59.6° |
| C7 | C10 | N3 | H4 | 120.8° | 120.0° |
| C7 | C10 | N3 | H5 | 120.8° | 120.0° |
| C7 | C10 | N3 | C14 | 121.0° | 64.4° |
| C10 | C7 | C6 | H3 | 9.6° | 0.0° |
| C7 | C10 | H4 | H5 | 117.7° | 120.0° |
| C10 | C7 | C8 | H27 | 9.7° | 0.0° |
| C11 | N3 | C10 | C14 | 178.9° | 124.0° |
| C11 | N3 | C14 | N4 | 8.4° | 0.0° |
| C11 | N3 | C14 | C17 | 173.8° | 180.0° |
| C11 | N3 | C10 | H4 | 178.6° | 179.6° |
| C11 | N3 | C10 | H5 | 62.9° | 60.3° |
| N3 | C11 | C12 | H6 | 76.1° | 55.0° |
| N3 | C11 | C12 | H7 | 43.2° | 65.0° |
| N3 | C11 | H24 | H25 | 118.1° | 119.9° |
| C10 | N3 | C14 | N4 | 172.7° | 124.0° |
| C10 | N3 | C14 | C17 | 5.0° | 56.0° |
| N3 | C10 | H4 | H5 | 117.6° | 120.0° |
| C10 | N3 | C11 | H24 | 17.6° | 168.4° |
| C10 | N3 | C11 | H25 | 136.4° | 48.4° |
| N3 | C14 | N4 | C17 | 177.9° | 180.0° |
| N3 | C14 | N4 | C15 | 178.2° | 180.0° |
| N3 | C14 | C17 | N6 | 2.2° | 0.0° |
| N3 | C14 | C17 | C16 | 176.1° | 180.0° |
| C14 | N3 | C10 | H4 | 0.3° | 55.6° |
| C14 | N3 | C10 | H5 | 118.2° | 175.6° |
| C14 | N3 | C11 | H24 | 163.5° | 44.4° |
| C14 | N3 | C11 | H25 | 44.7° | 75.6° |
| N4 | C14 | C17 | N6 | 179.9° | 180.0° |
| N4 | C14 | C17 | C16 | 1.6° | 0.0° |
| C14 | N4 | C15 | CL | 173.5° | 180.0° |
| C14 | N4 | C15 | N5 | 2.7° | 0.1° |
| C17 | C14 | N4 | C15 | 0.4° | 0.0° |
| C14 | C17 | N6 | C16 | 178.4° | 180.0° |
| C14 | C17 | N6 | C18 | 177.3° | 179.7° |
| C14 | C17 | C16 | N5 | 1.9° | 0.0° |
| C14 | C17 | C16 | N7 | 177.4° | 180.0° |
| N4 | C15 | CL | N5 | 176.8° | 179.9° |
| N4 | C15 | N5 | C16 | 2.4° | 0.1° |
| C17 | N6 | C18 | N7 | 0.6° | 0.5° |
| N6 | C17 | C16 | N5 | 179.4° | 180.0° |
| N6 | C17 | C16 | N7 | 1.3° | 0.0° |
| C17 | N6 | C18 | H11 | 179.5° | 179.7° |
| C18 | N6 | C17 | C16 | 1.1° | 0.3° |
| N6 | C18 | N7 | H11 | 180.0° | 179.8° |
| N6 | C18 | N7 | C16 | 0.2° | 0.5° |
| N6 | C18 | N7 | C19 | 179.8° | 179.8° |
| C17 | C16 | N5 | C15 | 0.1° | 0.1° |
| C17 | C16 | N7 | C18 | 0.9° | 0.3° |
| C17 | C16 | N5 | N7 | 179.2° | 179.9° |
| C17 | C16 | N7 | C19 | 179.5° | 180.0° |
| CL | C15 | N5 | C16 | 173.8° | 180.0° |
| C15 | N5 | C16 | N7 | 179.1° | 180.0° |
| C18 | N7 | C16 | N5 | 179.8° | 179.8° |
| C18 | N7 | C16 | C19 | 179.6° | 179.7° |
| C18 | N7 | C19 | C24 | 92.0° | 95.3° |
| C18 | N7 | C19 | O | 28.4° | 18.8° |
| C18 | N7 | C19 | H23 | 147.9° | 141.8° |
| N5 | C16 | N7 | C19 | 0.2° | 0.1° |
| C16 | N7 | C19 | C24 | 87.6° | 85.0° |
| C16 | N7 | C19 | O | 152.1° | 160.9° |
| C16 | N7 | C18 | H11 | 179.8° | 179.7° |
| C16 | N7 | C19 | H23 | 32.6° | 37.8° |
| N7 | C19 | C24 | O8 | 114.4° | 86.3° |
| N7 | C19 | C24 | C23 | 122.6° | 155.6° |
| N7 | C19 | C24 | O | 121.1° | 118.5° |
| N7 | C19 | C24 | H23 | 120.7° | 122.8° |
| N7 | C19 | O | H23 | 119.2° | 122.9° |
| N7 | C19 | O | C20 | 147.9° | 158.6° |
| C19 | N7 | C18 | H11 | 0.2° | 0.0° |
| N7 | C19 | C24 | H17 | 6.8° | 37.3° |
| O8 | C24 | C23 | C19 | 120.0° | 118.2° |
| O8 | C24 | C23 | H17 | 124.3° | 123.6° |
| O8 | C24 | C19 | H17 | 121.2° | 123.6° |
| O8 | C24 | C23 | O7 | 21.7° | 20.4° |
| O8 | C24 | C23 | C20 | 100.0° | 139.1° |
| O8 | C24 | C19 | O | 124.5° | 155.2° |
| O8 | C24 | C23 | H16 | 144.6° | 102.2° |
| O8 | C24 | C19 | H23 | 6.3° | 36.5° |
| C23 | C24 | C19 | H17 | 115.7° | 118.2° |
| C24 | C23 | O7 | C20 | 116.6° | 114.8° |
| C24 | C23 | O7 | H16 | 122.1° | 122.7° |
| C24 | C23 | C20 | H16 | 115.3° | 118.8° |
| C23 | C24 | C19 | O | 1.5° | 37.1° |
| C24 | C23 | C20 | O | 34.7° | 2.0° |
| C24 | C23 | C20 | C21 | 154.7° | 121.4° |
| C24 | C23 | C20 | H20 | 82.5° | 117.6° |
| C24 | C23 | O7 | H21 | 180.0° | 65.3° |
| C23 | C24 | O8 | H22 | 180.0° | 61.5° |
| C23 | C24 | C19 | H23 | 116.7° | 81.7° |
| C19 | C24 | C23 | O7 | 141.7° | 97.8° |
| C19 | C24 | C23 | C20 | 20.0° | 20.9° |
| C24 | C19 | O | H23 | 117.2° | 118.6° |
| C24 | C19 | O | C20 | 24.3° | 40.1° |
| C19 | C24 | C23 | H16 | 95.4° | 139.6° |
| C19 | C24 | O8 | H22 | 63.8° | 174.1° |
| O7 | C23 | C20 | H16 | 122.1° | 122.5° |
| O7 | C23 | C20 | O | 157.3° | 120.7° |
| O7 | C23 | C20 | C21 | 82.7° | 119.9° |
| O7 | C23 | C24 | H17 | 102.6° | 144.0° |
| O7 | C23 | C20 | H20 | 40.0° | 1.1° |
| C23 | C20 | O | C19 | 37.2° | 26.5° |
| C23 | C20 | O | C21 | 123.3° | 119.4° |
| C23 | C20 | O | H20 | 116.5° | 119.5° |
| C23 | C20 | C21 | H20 | 122.6° | 121.0° |
| C23 | C20 | C21 | O1 | 178.7° | 175.0° |
| C23 | C20 | C21 | H12 | 58.7° | 65.0° |
| C23 | C20 | C21 | H13 | 61.4° | 55.0° |
| C20 | C23 | C24 | H17 | 135.8° | 97.4° |
| C20 | C23 | O7 | H21 | 63.4° | 180.0° |
| C19 | O | C20 | C21 | 160.5° | 146.0° |
| O | C19 | C24 | H17 | 114.2° | 81.2° |
| C19 | O | C20 | H20 | 79.3° | 93.0° |
| O4 | P1 | O6 | C22 | 121.8° | 120.0° |
| O4 | P1 | O6 | O5 | 123.6° | 120.0° |
| O4 | P1 | C22 | O5 | 122.5° | 120.0° |
| O4 | P1 | C22 | P | 178.2° | 60.0° |
| O4 | P1 | O5 | H2 | 0.0° | 180.0° |
| O4 | P1 | C22 | H14 | 60.8° | 60.0° |
| O4 | P1 | C22 | H15 | 57.2° | 179.9° |
| O4 | P1 | O6 | H18 | 0.0° | 60.0° |
| O | C20 | C21 | H20 | 120.8° | 121.1° |
| O | C20 | C21 | O1 | 64.7° | 67.2° |
| O | C20 | C21 | H12 | 175.3° | 52.9° |
| O | C20 | C21 | H13 | 55.2° | 172.8° |
| O | C20 | C23 | H16 | 80.6° | 116.7° |
| C20 | O | C19 | H23 | 92.9° | 78.5° |
| O6 | P1 | C22 | O5 | 116.8° | 120.0° |
| O6 | P1 | C22 | P | 61.1° | 180.0° |
| O6 | P1 | O5 | H2 | 123.1° | 60.1° |
| O6 | P1 | C22 | H14 | 59.9° | 60.0° |
| O6 | P1 | C22 | H15 | 177.9° | 59.9° |
| C20 | C21 | O1 | H12 | 119.9° | 120.0° |
| C20 | C21 | O1 | H13 | 119.9° | 120.0° |
| C20 | C21 | O1 | P | 173.2° | 180.0° |
| C20 | C21 | H12 | H13 | 120.1° | 120.0° |
| C21 | C20 | C23 | H16 | 39.4° | 2.7° |
| C21 | O1 | P | C22 | 52.6° | 175.0° |
| C21 | O1 | P | O3 | 60.0° | 55.0° |
| C21 | O1 | P | O2 | 179.0° | 65.0° |
| O1 | C21 | H12 | H13 | 120.1° | 120.0° |
| O1 | C21 | C20 | H20 | 56.1° | 54.0° |
| P1 | C22 | P | H14 | 121.0° | 120.0° |
| P1 | C22 | P | H15 | 121.0° | 120.0° |
| P1 | C22 | P | O1 | 72.8° | 180.0° |
| P1 | C22 | P | O3 | 174.1° | 60.0° |
| P1 | C22 | P | O2 | 53.3° | 60.0° |
| C22 | P1 | O5 | H2 | 122.9° | 60.0° |
| P1 | C22 | H14 | H15 | 116.9° | 120.0° |
| C22 | P1 | O6 | H18 | 121.8° | 180.0° |
| O5 | P1 | C22 | P | 55.7° | 60.0° |
| O5 | P1 | C22 | H14 | 176.7° | 180.0° |
| O5 | P1 | C22 | H15 | 65.3° | 60.1° |
| O5 | P1 | O6 | H18 | 123.6° | 60.0° |
| C22 | P | O1 | O3 | 112.6° | 120.0° |
| C22 | P | O1 | O2 | 128.4° | 120.0° |
| C22 | P | O3 | O2 | 127.2° | 120.0° |
| P | C22 | H14 | H15 | 116.9° | 120.0° |
| C22 | P | O2 | H19 | 120.6° | 60.0° |
| O1 | P | O3 | O2 | 123.2° | 120.0° |
| P | O1 | C21 | H12 | 53.3° | 60.0° |
| P | O1 | C21 | H13 | 66.8° | 60.0° |
| O1 | P | C22 | H14 | 48.2° | 60.0° |
| O1 | P | C22 | H15 | 166.2° | 60.0° |
| O1 | P | O2 | H19 | 119.2° | 60.0° |
| O3 | P | C22 | H14 | 64.9° | 180.0° |
| O3 | P | C22 | H15 | 53.1° | 60.0° |
| O3 | P | O2 | H19 | 0.0° | 180.0° |
| O2 | P | C22 | H14 | 174.3° | 60.0° |
| O2 | P | C22 | H15 | 67.7° | 180.0° |
| H3 | C6 | C5 | H26 | 0.1° | 0.0° |
| H6 | C12 | C13 | H8 | 59.7° | 60.0° |
| H6 | C12 | C13 | H9 | 60.3° | 60.0° |
| H6 | C12 | C13 | H10 | 179.6° | 179.9° |
| H6 | C12 | C11 | H24 | 163.3° | 65.1° |
| H6 | C12 | C11 | H25 | 44.5° | 175.0° |
| H7 | C12 | C13 | H8 | 59.6° | 60.0° |
| H7 | C12 | C13 | H9 | 179.6° | 180.0° |
| H7 | C12 | C13 | H10 | 60.4° | 60.0° |
| H7 | C12 | C11 | H24 | 77.4° | 174.9° |
| H7 | C12 | C11 | H25 | 163.8° | 55.0° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H12 | C21 | C20 | H20 | 63.9° | 174.0° |
| H13 | C21 | C20 | H20 | 176.0° | 66.0° |
| H16 | C23 | C24 | H17 | 20.3° | 21.3° |
| H16 | C23 | C20 | H20 | 162.2° | 123.7° |
| H16 | C23 | O7 | H21 | 57.9° | 57.5° |
| H17 | C24 | O8 | H22 | 56.5° | 62.2° |
| H17 | C24 | C19 | H23 | 127.6° | 160.1° |
| H27 | C8 | C9 | H28 | 0.3° | 0.0° |
| H29 | C1 | C | H31 | 170.9° | 180.0° |
| H29 | C1 | C | H32 | 68.9° | 60.0° |
| H30 | C1 | C | H31 | 51.8° | 60.0° |
| H30 | C1 | C | H32 | 171.9° | 180.0° |
