A1CT3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C4 | sing | 1.74Å | 1.74Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N4 | sing | 1.47Å | 1.50Å | |
| C24 | N4 | sing | 1.35Å | 1.37Å | |
| C24 | O2 | doub | 1.21Å | 1.23Å | |
| C21 | N | sing | 1.47Å | 1.47Å | |
| N4 | C19 | sing | 1.47Å | 1.49Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.55Å | |
| N | C7 | sing | 1.35Å | 1.35Å | |
| N | C18 | sing | 1.47Å | 1.46Å | |
| C19 | C23 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C8 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | O | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C17 | N2 | sing | 1.47Å | 1.46Å | |
| C11 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C15 | N2 | sing | 1.34Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| N1 | C13 | sing | 1.35Å | 1.35Å | |
| N1 | C10 | sing | 1.47Å | 1.48Å | |
| C14 | C13 | sing | 1.47Å | 1.54Å | |
| C14 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | O1 | doub | 1.22Å | 1.23Å | |
| N3 | C16 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.08Å | 1.08Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.08Å | 1.08Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | CL1 | sing | 1.80Å | 1.86Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C4 | C3 | 119.4° | 120.0° |
| CL | C4 | C5 | 119.2° | 120.0° |
| C25 | C24 | N4 | 118.5° | 120.0° |
| C25 | C24 | O2 | 121.0° | 120.0° |
| C24 | C25 | H8 | 113.0° | 109.5° |
| C24 | C25 | H9 | 113.0° | 109.5° |
| C24 | C25 | CL1 | 94.9° | 109.5° |
| C4 | C3 | C2 | 119.1° | 120.0° |
| C3 | C4 | C5 | 121.4° | 120.0° |
| C4 | C3 | H6 | 120.5° | 120.1° |
| C3 | C2 | C1 | 120.9° | 120.0° |
| C2 | C3 | H6 | 120.5° | 119.9° |
| C3 | C2 | H7 | 119.5° | 120.0° |
| C22 | C20 | C21 | 112.1° | 109.6° |
| C22 | C20 | N4 | 113.2° | 109.9° |
| C22 | C20 | H17 | 107.0° | 109.8° |
| C20 | C22 | H18 | 109.5° | 109.5° |
| C20 | C22 | H19 | 109.5° | 109.4° |
| C20 | C22 | H20 | 109.4° | 109.5° |
| C4 | C5 | C | 119.0° | 120.0° |
| C4 | C5 | H4 | 120.5° | 120.0° |
| C2 | C1 | C | 118.4° | 120.1° |
| C2 | C1 | C6 | 121.1° | 120.0° |
| C1 | C2 | H7 | 119.6° | 120.0° |
| C21 | C20 | N4 | 109.9° | 108.6° |
| C20 | C21 | N | 110.6° | 108.8° |
| C21 | C20 | H17 | 107.0° | 109.6° |
| C20 | C21 | H21 | 109.2° | 109.6° |
| C20 | C21 | H22 | 109.2° | 109.6° |
| C20 | N4 | C24 | 123.5° | 120.6° |
| C20 | N4 | C19 | 120.4° | 118.8° |
| N4 | C20 | H17 | 107.3° | 109.3° |
| N4 | C24 | O2 | 120.5° | 120.0° |
| C24 | N4 | C19 | 116.1° | 120.6° |
| C21 | N | C7 | 126.3° | 120.6° |
| C21 | N | C18 | 113.7° | 119.1° |
| N | C21 | H21 | 109.2° | 109.9° |
| N | C21 | H22 | 109.2° | 109.1° |
| N4 | C19 | C23 | 113.0° | 109.6° |
| N4 | C19 | C18 | 109.2° | 108.7° |
| N4 | C19 | H11 | 107.7° | 109.6° |
| C5 | C | C1 | 121.2° | 120.0° |
| C | C5 | H4 | 120.5° | 120.0° |
| C5 | C | H23 | 119.4° | 120.0° |
| C | C1 | C6 | 120.5° | 120.0° |
| C1 | C | H23 | 119.4° | 120.0° |
| C1 | C6 | C7 | 107.6° | 109.5° |
| C1 | C6 | C8 | 112.5° | 109.5° |
| C1 | C6 | H5 | 109.6° | 109.5° |
| C7 | C6 | C8 | 108.5° | 109.5° |
| C6 | C7 | N | 117.6° | 120.0° |
| C6 | C7 | O | 120.8° | 120.0° |
| C7 | C6 | H5 | 109.5° | 109.4° |
| C6 | C8 | C12 | 112.7° | 109.3° |
| C6 | C8 | C9 | 112.0° | 109.5° |
| C6 | C8 | H1 | 107.4° | 109.5° |
| C8 | C6 | H5 | 109.2° | 109.5° |
| C7 | N | C18 | 120.0° | 120.4° |
| N | C7 | O | 121.6° | 120.0° |
| N | C18 | C19 | 110.4° | 108.6° |
| N | C18 | H15 | 109.2° | 109.6° |
| N | C18 | H16 | 109.2° | 109.8° |
| C23 | C19 | C18 | 112.1° | 109.6° |
| C23 | C19 | H11 | 107.4° | 109.6° |
| C19 | C23 | H12 | 109.5° | 109.4° |
| C19 | C23 | H13 | 109.5° | 109.5° |
| C19 | C23 | H14 | 109.5° | 109.4° |
| C18 | C19 | H11 | 107.3° | 109.8° |
| C19 | C18 | H15 | 109.2° | 109.6° |
| C19 | C18 | H16 | 109.2° | 109.6° |
| C8 | C12 | C11 | 108.6° | 109.4° |
| C12 | C8 | C9 | 109.2° | 109.4° |
| C12 | C8 | H1 | 107.6° | 109.7° |
| C8 | C12 | H24 | 109.7° | 109.5° |
| C8 | C12 | H25 | 109.7° | 109.5° |
| C12 | C11 | N1 | 111.7° | 108.8° |
| C11 | C12 | H24 | 109.7° | 109.7° |
| C11 | C12 | H25 | 109.7° | 109.3° |
| C12 | C11 | H26 | 108.9° | 109.6° |
| C12 | C11 | H27 | 108.9° | 109.6° |
| C8 | C9 | C10 | 108.2° | 109.3° |
| C9 | C8 | H1 | 107.7° | 109.5° |
| C8 | C9 | H2 | 109.8° | 109.5° |
| C8 | C9 | H3 | 109.8° | 109.5° |
| C17 | N2 | C15 | 127.7° | 125.8° |
| C17 | N2 | N3 | 120.1° | 125.7° |
| N2 | C17 | H31 | 109.5° | 109.4° |
| N2 | C17 | H32 | 109.5° | 109.5° |
| N2 | C17 | H33 | 109.4° | 109.5° |
| C11 | N1 | C13 | 126.6° | 120.6° |
| C11 | N1 | C10 | 113.9° | 118.7° |
| N1 | C11 | H26 | 108.9° | 109.6° |
| N1 | C11 | H27 | 108.9° | 109.6° |
| C9 | C10 | N1 | 112.1° | 108.8° |
| C10 | C9 | H2 | 109.8° | 109.3° |
| C10 | C9 | H3 | 109.8° | 109.7° |
| C9 | C10 | H28 | 108.8° | 109.6° |
| C9 | C10 | H29 | 108.8° | 109.6° |
| N2 | C15 | C14 | 107.1° | 107.4° |
| C15 | N2 | N3 | 112.3° | 108.5° |
| N2 | C15 | H34 | 126.5° | 126.3° |
| C15 | C14 | C13 | 131.7° | 126.5° |
| C15 | C14 | C16 | 103.9° | 107.2° |
| C14 | C15 | H34 | 126.5° | 126.3° |
| N2 | N3 | C16 | 104.6° | 108.9° |
| C13 | N1 | C10 | 119.0° | 120.6° |
| N1 | C13 | C14 | 121.3° | 120.0° |
| N1 | C13 | O1 | 122.4° | 120.0° |
| N1 | C10 | H28 | 108.8° | 109.6° |
| N1 | C10 | H29 | 108.8° | 109.6° |
| C13 | C14 | C16 | 124.3° | 126.4° |
| C14 | C13 | O1 | 115.3° | 120.0° |
| C14 | C16 | N3 | 112.2° | 108.0° |
| C14 | C16 | H30 | 123.9° | 126.0° |
| N3 | C16 | H30 | 123.9° | 126.0° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.5° | 109.4° |
| H8 | C25 | CL1 | 113.0° | 109.5° |
| H9 | C25 | CL1 | 113.0° | 109.5° |
| H12 | C23 | H13 | 109.4° | 109.5° |
| H12 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.6° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.8° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C11 | H27 | 109.5° | 109.7° |
| H28 | C10 | H29 | 109.5° | 109.6° |
| H31 | C17 | H32 | 109.5° | 109.4° |
| H31 | C17 | H33 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C4 | C3 | C5 | 178.0° | 179.4° |
| CL | C4 | C3 | C2 | 179.3° | 179.8° |
| CL | C4 | C5 | C | 179.1° | 180.0° |
| CL | C4 | C5 | H4 | 0.9° | 0.1° |
| CL | C4 | C3 | H6 | 0.7° | 0.5° |
| C25 | C24 | N4 | C20 | 22.3° | 20.3° |
| C25 | C24 | N4 | O2 | 179.2° | 179.9° |
| C25 | C24 | N4 | C19 | 156.9° | 159.3° |
| C24 | C25 | H8 | H9 | 126.9° | 120.0° |
| C24 | C25 | H8 | CL1 | 106.2° | 120.0° |
| C24 | C25 | H9 | CL1 | 106.2° | 120.0° |
| C4 | C3 | C2 | H6 | 180.0° | 179.3° |
| C4 | C3 | C2 | C1 | 1.8° | 0.4° |
| C3 | C4 | C5 | C | 1.1° | 0.6° |
| C3 | C4 | C5 | H4 | 178.9° | 179.5° |
| C4 | C3 | C2 | H7 | 178.2° | 179.5° |
| C2 | C3 | C4 | C5 | 1.4° | 0.8° |
| C3 | C2 | C1 | H7 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 2.0° | 0.1° |
| C3 | C2 | C1 | C6 | 178.5° | 179.7° |
| C22 | C20 | C21 | N4 | 126.8° | 120.1° |
| C22 | C20 | C21 | H17 | 117.1° | 120.5° |
| C22 | C20 | N4 | H17 | 117.8° | 120.5° |
| C22 | C20 | N4 | C24 | 98.0° | 5.2° |
| C22 | C20 | C21 | N | 79.3° | 169.1° |
| C22 | C20 | N4 | C19 | 82.8° | 175.1° |
| C20 | C22 | H18 | H19 | 120.0° | 120.0° |
| C20 | C22 | H18 | H20 | 120.0° | 120.0° |
| C20 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | C20 | C21 | H21 | 160.5° | 70.8° |
| C22 | C20 | C21 | H22 | 40.9° | 49.8° |
| C4 | C5 | C | H4 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 1.4° | 0.0° |
| C5 | C4 | C3 | H6 | 178.6° | 179.9° |
| C4 | C5 | C | H23 | 178.6° | 180.0° |
| C2 | C1 | C | C5 | 1.8° | 0.3° |
| C2 | C1 | C | C6 | 179.5° | 179.6° |
| C2 | C1 | C6 | C7 | 134.1° | 55.6° |
| C2 | C1 | C6 | C8 | 106.5° | 64.4° |
| C2 | C1 | C6 | H5 | 15.2° | 175.5° |
| C1 | C2 | C3 | H6 | 178.2° | 179.7° |
| C2 | C1 | C | H23 | 178.2° | 179.7° |
| C21 | C20 | N4 | H17 | 115.9° | 119.6° |
| C21 | C20 | N4 | C24 | 135.8° | 125.1° |
| C20 | C21 | N | H21 | 120.2° | 120.0° |
| C20 | C21 | N | H22 | 120.2° | 119.6° |
| C21 | C20 | N4 | C19 | 43.4° | 55.2° |
| C20 | C21 | N | C7 | 116.9° | 124.8° |
| C20 | C21 | N | C18 | 60.4° | 54.6° |
| C21 | C20 | C22 | H18 | 180.0° | 53.7° |
| C21 | C20 | C22 | H19 | 60.0° | 173.6° |
| C21 | C20 | C22 | H20 | 60.0° | 66.3° |
| C20 | C21 | H21 | H22 | 119.5° | 120.5° |
| C20 | N4 | C24 | C19 | 179.2° | 179.7° |
| C20 | N4 | C24 | O2 | 158.4° | 159.6° |
| N4 | C20 | C21 | N | 47.5° | 49.0° |
| C20 | N4 | C19 | C23 | 80.8° | 175.2° |
| C20 | N4 | C19 | C18 | 44.6° | 55.5° |
| C20 | N4 | C19 | H11 | 160.9° | 64.5° |
| N4 | C20 | C22 | H18 | 55.0° | 173.0° |
| N4 | C20 | C22 | H19 | 65.1° | 67.0° |
| N4 | C20 | C22 | H20 | 175.0° | 53.0° |
| N4 | C20 | C21 | H21 | 72.7° | 169.1° |
| N4 | C20 | C21 | H22 | 167.7° | 70.3° |
| C24 | N4 | C19 | C23 | 100.0° | 5.1° |
| C24 | N4 | C19 | C18 | 134.6° | 124.8° |
| N4 | C24 | C25 | H8 | 8.9° | 72.3° |
| N4 | C24 | C25 | H9 | 133.9° | 47.6° |
| C24 | N4 | C19 | H11 | 18.4° | 115.2° |
| C24 | N4 | C20 | H17 | 19.9° | 115.4° |
| N4 | C24 | C25 | CL1 | 108.6° | 167.6° |
| O2 | C24 | N4 | C19 | 22.3° | 20.7° |
| O2 | C24 | C25 | H8 | 170.3° | 107.6° |
| O2 | C24 | C25 | H9 | 45.3° | 132.4° |
| O2 | C24 | C25 | CL1 | 72.2° | 12.4° |
| C21 | N | C7 | C6 | 15.7° | 175.4° |
| C21 | N | C7 | C18 | 177.2° | 179.4° |
| C21 | N | C18 | C19 | 62.0° | 54.8° |
| C21 | N | C7 | O | 164.2° | 4.5° |
| C21 | N | C18 | H15 | 58.1° | 65.0° |
| C21 | N | C18 | H16 | 177.9° | 174.6° |
| N | C21 | C20 | H17 | 163.6° | 70.4° |
| N | C21 | H21 | H22 | 119.5° | 120.0° |
| N4 | C19 | C18 | N | 50.3° | 49.4° |
| N4 | C19 | C23 | C18 | 123.8° | 119.2° |
| N4 | C19 | C23 | H11 | 118.6° | 120.3° |
| N4 | C19 | C18 | H11 | 116.5° | 119.9° |
| N4 | C19 | C23 | H12 | 180.0° | 61.6° |
| N4 | C19 | C23 | H13 | 60.0° | 178.4° |
| N4 | C19 | C23 | H14 | 60.0° | 58.4° |
| N4 | C19 | C18 | H15 | 69.8° | 70.3° |
| N4 | C19 | C18 | H16 | 170.4° | 169.3° |
| C19 | N4 | C20 | H17 | 159.3° | 64.3° |
| C5 | C | C1 | H23 | 180.0° | 180.0° |
| C5 | C | C1 | C6 | 178.7° | 179.9° |
| C | C1 | C6 | C7 | 45.4° | 124.8° |
| C | C1 | C6 | C8 | 74.0° | 115.2° |
| C1 | C | C5 | H4 | 178.6° | 180.0° |
| C | C1 | C6 | H5 | 164.3° | 4.9° |
| C | C1 | C2 | H7 | 178.0° | 180.0° |
| C1 | C6 | C7 | C8 | 122.0° | 120.0° |
| C1 | C6 | C7 | H5 | 119.0° | 120.0° |
| C1 | C6 | C8 | H5 | 121.9° | 120.1° |
| C1 | C6 | C7 | N | 99.6° | 92.9° |
| C1 | C6 | C8 | C12 | 45.7° | 60.2° |
| C1 | C6 | C7 | O | 80.3° | 87.0° |
| C1 | C6 | C8 | C9 | 169.3° | 180.0° |
| C1 | C6 | C8 | H1 | 72.7° | 60.0° |
| C6 | C1 | C2 | H7 | 1.5° | 0.4° |
| C6 | C1 | C | H23 | 1.3° | 0.0° |
| C7 | C6 | C8 | H5 | 119.2° | 119.9° |
| C6 | C7 | N | O | 179.9° | 179.9° |
| C6 | C7 | N | C18 | 167.1° | 4.0° |
| C7 | C6 | C8 | C12 | 164.6° | 179.8° |
| C7 | C6 | C8 | C9 | 71.8° | 60.0° |
| C7 | C6 | C8 | H1 | 46.2° | 60.0° |
| C8 | C6 | C7 | N | 138.4° | 147.1° |
| C6 | C8 | C12 | C9 | 125.1° | 119.9° |
| C6 | C8 | C12 | H1 | 118.2° | 120.0° |
| C6 | C8 | C12 | C11 | 173.5° | 178.5° |
| C8 | C6 | C7 | O | 41.7° | 33.0° |
| C6 | C8 | C9 | H1 | 117.9° | 120.0° |
| C6 | C8 | C9 | C10 | 173.2° | 178.6° |
| C6 | C8 | C9 | H2 | 53.5° | 58.9° |
| C6 | C8 | C9 | H3 | 67.0° | 61.2° |
| C6 | C8 | C12 | H24 | 66.7° | 61.3° |
| C6 | C8 | C12 | H25 | 53.6° | 58.8° |
| C7 | N | C18 | C19 | 115.5° | 124.6° |
| N | C7 | C6 | H5 | 19.4° | 27.1° |
| C7 | N | C18 | H15 | 124.4° | 115.6° |
| C7 | N | C18 | H16 | 4.6° | 4.8° |
| C7 | N | C21 | H21 | 122.9° | 4.8° |
| C7 | N | C21 | H22 | 3.2° | 115.6° |
| N | C18 | C19 | C23 | 75.6° | 169.2° |
| N | C18 | C19 | H15 | 120.1° | 119.7° |
| N | C18 | C19 | H16 | 120.1° | 119.9° |
| C18 | N | C7 | O | 13.0° | 176.1° |
| N | C18 | C19 | H11 | 166.8° | 70.4° |
| N | C18 | H15 | H16 | 119.6° | 120.5° |
| C18 | N | C21 | H21 | 59.8° | 174.6° |
| C18 | N | C21 | H22 | 179.5° | 65.0° |
| C23 | C19 | C18 | H11 | 117.6° | 120.4° |
| C19 | C23 | H12 | H13 | 120.0° | 120.0° |
| C19 | C23 | H12 | H14 | 120.0° | 119.9° |
| C19 | C23 | H13 | H14 | 120.0° | 120.0° |
| C23 | C19 | C18 | H15 | 164.3° | 49.4° |
| C23 | C19 | C18 | H16 | 44.5° | 70.9° |
| C18 | C19 | C23 | H12 | 56.2° | 179.3° |
| C18 | C19 | C23 | H13 | 63.8° | 59.3° |
| C18 | C19 | C23 | H14 | 176.2° | 60.8° |
| C19 | C18 | H15 | H16 | 119.6° | 120.4° |
| C8 | C12 | C11 | H24 | 119.9° | 120.1° |
| C8 | C12 | C11 | H25 | 119.9° | 119.9° |
| C12 | C8 | C9 | H1 | 116.6° | 120.2° |
| C8 | C12 | C11 | N1 | 56.2° | 54.7° |
| C12 | C8 | C9 | C10 | 61.2° | 61.6° |
| C12 | C8 | C9 | H2 | 179.0° | 178.7° |
| C12 | C8 | C9 | H3 | 58.6° | 58.6° |
| C12 | C8 | C6 | H5 | 76.2° | 59.9° |
| C8 | C12 | H24 | H25 | 120.4° | 120.1° |
| C8 | C12 | C11 | H26 | 176.5° | 65.1° |
| C8 | C12 | C11 | H27 | 64.1° | 174.5° |
| C11 | C12 | C8 | C9 | 61.4° | 61.6° |
| C12 | C11 | N1 | H26 | 120.3° | 119.8° |
| C12 | C11 | N1 | H27 | 120.3° | 119.8° |
| C12 | C11 | N1 | C13 | 135.8° | 126.4° |
| C12 | C11 | N1 | C10 | 52.7° | 53.3° |
| C11 | C12 | C8 | H1 | 55.2° | 58.5° |
| C11 | C12 | H24 | H25 | 120.4° | 119.9° |
| C12 | C11 | H26 | H27 | 119.0° | 120.4° |
| O | C7 | C6 | H5 | 160.7° | 153.0° |
| C8 | C9 | C10 | H2 | 119.8° | 119.8° |
| C8 | C9 | C10 | H3 | 119.8° | 120.1° |
| C8 | C9 | C10 | N1 | 56.4° | 54.6° |
| C8 | C9 | H2 | H3 | 120.6° | 120.1° |
| C9 | C8 | C6 | H5 | 47.4° | 59.9° |
| C9 | C8 | C12 | H24 | 58.4° | 58.6° |
| C9 | C8 | C12 | H25 | 178.7° | 178.6° |
| C8 | C9 | C10 | H28 | 64.0° | 174.4° |
| C8 | C9 | C10 | H29 | 176.8° | 65.2° |
| C17 | N2 | C15 | N3 | 179.1° | 179.8° |
| C17 | N2 | C15 | C14 | 179.1° | 179.8° |
| C17 | N2 | N3 | C16 | 179.5° | 180.0° |
| N2 | C17 | H31 | H32 | 120.0° | 119.9° |
| N2 | C17 | H31 | H33 | 120.0° | 120.1° |
| N2 | C17 | H32 | H33 | 120.0° | 120.1° |
| C17 | N2 | C15 | H34 | 0.9° | 0.2° |
| C11 | N1 | C10 | C9 | 53.0° | 53.4° |
| C11 | N1 | C13 | C10 | 171.1° | 179.7° |
| C11 | N1 | C13 | C14 | 5.3° | 3.0° |
| C11 | N1 | C13 | O1 | 173.7° | 177.0° |
| N1 | C11 | C12 | H24 | 63.6° | 65.4° |
| N1 | C11 | C12 | H25 | 176.1° | 174.6° |
| N1 | C11 | H26 | H27 | 119.0° | 120.3° |
| C11 | N1 | C10 | H28 | 67.4° | 173.1° |
| C11 | N1 | C10 | H29 | 173.4° | 66.5° |
| C9 | C10 | N1 | C13 | 134.8° | 126.4° |
| C9 | C10 | N1 | H28 | 120.4° | 119.8° |
| C9 | C10 | N1 | H29 | 120.4° | 119.8° |
| C10 | C9 | C8 | H1 | 55.4° | 58.6° |
| C10 | C9 | H2 | H3 | 120.6° | 120.2° |
| C9 | C10 | H28 | H29 | 118.8° | 120.3° |
| N2 | C15 | C14 | H34 | 180.0° | 179.6° |
| N2 | C15 | C14 | C13 | 177.1° | 179.9° |
| N2 | C15 | C14 | C16 | 0.3° | 0.4° |
| C15 | N2 | N3 | C16 | 0.3° | 0.3° |
| C15 | N2 | C17 | H31 | 179.1° | 89.7° |
| C15 | N2 | C17 | H32 | 60.9° | 30.2° |
| C15 | N2 | C17 | H33 | 59.1° | 150.3° |
| C14 | C15 | N2 | N3 | 0.0° | 0.4° |
| C15 | C14 | C13 | N1 | 9.4° | 140.8° |
| C15 | C14 | C13 | C16 | 176.2° | 179.6° |
| C15 | C14 | C13 | O1 | 178.6° | 39.1° |
| C15 | C14 | C16 | N3 | 0.6° | 0.3° |
| C15 | C14 | C16 | H30 | 179.4° | 179.7° |
| N2 | N3 | C16 | C14 | 0.6° | 0.0° |
| N2 | N3 | C16 | H30 | 179.5° | 180.0° |
| N3 | N2 | C17 | H31 | 0.0° | 90.0° |
| N3 | N2 | C17 | H32 | 120.0° | 150.1° |
| N3 | N2 | C17 | H33 | 120.0° | 30.0° |
| N3 | N2 | C15 | H34 | 180.0° | 180.0° |
| N1 | C13 | C14 | O1 | 169.1° | 179.9° |
| N1 | C13 | C14 | C16 | 174.3° | 39.6° |
| C13 | N1 | C11 | H26 | 15.5° | 113.8° |
| C13 | N1 | C11 | H27 | 103.8° | 6.6° |
| C13 | N1 | C10 | H28 | 104.8° | 6.6° |
| C13 | N1 | C10 | H29 | 14.5° | 113.8° |
| C10 | N1 | C13 | C14 | 165.7° | 176.7° |
| C10 | N1 | C13 | O1 | 2.6° | 3.2° |
| N1 | C10 | C9 | H2 | 176.2° | 174.5° |
| N1 | C10 | C9 | H3 | 63.4° | 65.5° |
| C10 | N1 | C11 | H26 | 173.0° | 66.5° |
| C10 | N1 | C11 | H27 | 67.6° | 173.1° |
| N1 | C10 | H28 | H29 | 118.8° | 120.4° |
| C13 | C14 | C16 | N3 | 177.7° | 179.9° |
| C13 | C14 | C16 | H30 | 2.3° | 0.0° |
| C13 | C14 | C15 | H34 | 2.9° | 0.3° |
| C16 | C14 | C13 | O1 | 5.2° | 140.5° |
| C14 | C16 | N3 | H30 | 180.0° | 180.0° |
| C16 | C14 | C15 | H34 | 179.7° | 180.0° |
| H1 | C8 | C9 | H2 | 64.4° | 61.1° |
| H1 | C8 | C9 | H3 | 175.2° | 178.8° |
| H1 | C8 | C6 | H5 | 165.5° | 180.0° |
| H1 | C8 | C12 | H24 | 175.1° | 178.7° |
| H1 | C8 | C12 | H25 | 64.6° | 61.3° |
| H2 | C9 | C10 | H28 | 55.8° | 65.7° |
| H2 | C9 | C10 | H29 | 63.4° | 54.6° |
| H3 | C9 | C10 | H28 | 176.2° | 54.4° |
| H3 | C9 | C10 | H29 | 57.0° | 174.7° |
| H4 | C5 | C | H23 | 1.4° | 0.0° |
| H6 | C3 | C2 | H7 | 1.8° | 0.2° |
| H8 | C25 | H9 | CL1 | 126.9° | 120.0° |
| H11 | C19 | C23 | H12 | 61.4° | 58.7° |
| H11 | C19 | C23 | H13 | 178.6° | 61.3° |
| H11 | C19 | C23 | H14 | 58.6° | 178.7° |
| H11 | C19 | C18 | H15 | 46.6° | 169.8° |
| H11 | C19 | C18 | H16 | 73.1° | 49.5° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H17 | C20 | C22 | H18 | 63.0° | 66.8° |
| H17 | C20 | C22 | H19 | 177.0° | 53.2° |
| H17 | C20 | C22 | H20 | 57.0° | 173.2° |
| H17 | C20 | C21 | H21 | 43.5° | 49.8° |
| H17 | C20 | C21 | H22 | 76.2° | 170.4° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H24 | C12 | C11 | H26 | 56.7° | 174.8° |
| H24 | C12 | C11 | H27 | 176.0° | 54.4° |
| H25 | C12 | C11 | H26 | 63.6° | 54.8° |
| H25 | C12 | C11 | H27 | 55.8° | 65.6° |
| H31 | C17 | H32 | H33 | 120.0° | 120.0° |
