A1CTK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| N4 | C12 | trip | 1.14Å | 1.19Å | |
| CL1 | C23 | sing | 1.74Å | 1.72Å | |
| C16 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C13 | sing | 1.53Å | 1.49Å | |
| C9 | N3 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C5 | N2 | sing | 1.47Å | 1.45Å | |
| N3 | C14 | sing | 1.47Å | 1.51Å | |
| N3 | C8 | sing | 1.47Å | 1.44Å | |
| C15 | N2 | sing | 1.48Å | 1.51Å | |
| C15 | C8 | sing | 1.55Å | 1.54Å | |
| C19 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C19 | N5 | sing | 1.38Å | 1.36Å | Aromatic |
| CL2 | C25 | sing | 1.74Å | 1.73Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | C6 | sing | 1.48Å | 1.41Å | |
| C8 | C7 | sing | 1.55Å | 1.44Å | |
| C22 | N6 | sing | 1.40Å | 1.44Å | |
| C22 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| N6 | C21 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.54Å | 1.57Å | |
| N5 | C20 | sing | 1.47Å | 1.43Å | |
| N5 | C2 | sing | 1.36Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | O1 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C2 | doub | 1.30Å | 1.34Å | Aromatic |
| C27 | CL3 | sing | 1.74Å | 1.69Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 120.5° | 120.4° |
| C17 | C16 | C4 | 122.5° | 120.7° |
| C17 | C16 | H14 | 118.8° | 119.7° |
| C16 | C17 | H15 | 119.7° | 119.8° |
| C17 | C18 | C19 | 117.9° | 119.7° |
| C18 | C17 | H15 | 119.8° | 119.8° |
| C17 | C18 | H20 | 121.1° | 120.1° |
| N4 | C12 | C11 | 174.4° | 179.9° |
| CL1 | C23 | C24 | 118.6° | 120.1° |
| CL1 | C23 | C22 | 118.6° | 120.1° |
| C16 | C4 | C5 | 121.8° | 120.1° |
| C16 | C4 | C3 | 116.9° | 119.9° |
| C4 | C16 | H14 | 118.8° | 119.7° |
| C12 | C11 | C10 | 114.1° | 109.6° |
| C12 | C11 | C13 | 109.2° | 109.5° |
| C12 | C11 | H19 | 106.9° | 109.5° |
| C11 | C10 | C9 | 110.7° | 109.3° |
| C10 | C11 | C13 | 111.1° | 109.2° |
| C11 | C10 | H17 | 109.2° | 109.5° |
| C11 | C10 | H18 | 109.2° | 109.5° |
| C10 | C11 | H19 | 107.7° | 109.6° |
| C10 | C9 | N3 | 114.4° | 109.5° |
| C9 | C10 | H17 | 109.2° | 109.5° |
| C9 | C10 | H18 | 109.2° | 109.5° |
| C10 | C9 | H27 | 108.3° | 109.5° |
| C10 | C9 | H28 | 108.2° | 109.5° |
| C18 | C19 | C3 | 121.9° | 119.8° |
| C18 | C19 | N5 | 132.2° | 134.1° |
| C19 | C18 | H20 | 121.1° | 120.2° |
| C23 | C24 | C25 | 116.5° | 120.1° |
| C24 | C23 | C22 | 122.8° | 119.9° |
| C23 | C24 | H23 | 121.7° | 120.0° |
| C24 | C25 | CL2 | 118.9° | 119.9° |
| C24 | C25 | C26 | 123.0° | 120.1° |
| C25 | C24 | H23 | 121.8° | 119.9° |
| C11 | C13 | C14 | 110.9° | 109.3° |
| C11 | C13 | H8 | 109.1° | 109.5° |
| C11 | C13 | H9 | 109.1° | 109.5° |
| C13 | C11 | H19 | 107.5° | 109.5° |
| C9 | N3 | C14 | 106.6° | 111.2° |
| C9 | N3 | C8 | 115.8° | 111.0° |
| N3 | C9 | H27 | 108.3° | 109.5° |
| N3 | C9 | H28 | 108.2° | 109.4° |
| C23 | C22 | N6 | 118.7° | 120.0° |
| C23 | C22 | C27 | 118.9° | 119.9° |
| C5 | C4 | C3 | 121.3° | 120.0° |
| C4 | C5 | N2 | 111.8° | 109.5° |
| C4 | C5 | H4 | 108.9° | 109.4° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| C4 | C3 | C19 | 120.3° | 119.4° |
| C4 | C3 | N1 | 132.7° | 133.6° |
| C13 | C14 | N3 | 113.7° | 109.5° |
| C14 | C13 | H8 | 109.1° | 109.5° |
| C14 | C13 | H9 | 109.1° | 109.5° |
| C13 | C14 | H10 | 108.4° | 109.4° |
| C13 | C14 | H11 | 108.4° | 109.4° |
| C5 | N2 | C15 | 113.1° | 111.0° |
| C5 | N2 | C6 | 113.4° | 111.0° |
| N2 | C5 | H4 | 108.9° | 109.5° |
| N2 | C5 | H5 | 108.9° | 109.5° |
| C14 | N3 | C8 | 112.3° | 111.0° |
| N3 | C14 | H10 | 108.4° | 109.5° |
| N3 | C14 | H11 | 108.4° | 109.5° |
| N3 | C8 | C15 | 112.5° | 110.8° |
| N3 | C8 | C7 | 116.7° | 110.7° |
| N3 | C8 | H26 | 108.0° | 110.8° |
| N2 | C15 | C8 | 104.0° | 103.2° |
| C15 | N2 | C6 | 103.6° | 105.9° |
| N2 | C15 | H12 | 110.8° | 110.7° |
| N2 | C15 | H13 | 110.8° | 110.7° |
| C15 | C8 | C7 | 104.2° | 102.9° |
| C8 | C15 | H12 | 110.8° | 110.6° |
| C8 | C15 | H13 | 110.8° | 110.6° |
| C15 | C8 | H26 | 106.9° | 110.7° |
| C3 | C19 | N5 | 106.0° | 106.0° |
| C19 | C3 | N1 | 107.0° | 106.9° |
| C19 | N5 | C20 | 123.6° | 126.3° |
| C19 | N5 | C2 | 110.0° | 107.3° |
| CL2 | C25 | C26 | 118.2° | 120.0° |
| C25 | C26 | C27 | 118.7° | 120.1° |
| C25 | C26 | H16 | 120.6° | 119.9° |
| C3 | N1 | C2 | 109.0° | 109.6° |
| N2 | C6 | C7 | 106.5° | 107.0° |
| N2 | C6 | H6 | 110.2° | 109.9° |
| N2 | C6 | H7 | 110.2° | 110.0° |
| C8 | C7 | C6 | 106.8° | 105.1° |
| C8 | C7 | H24 | 110.1° | 110.3° |
| C8 | C7 | H25 | 110.1° | 110.4° |
| C7 | C8 | H26 | 108.1° | 110.7° |
| N6 | C22 | C27 | 122.4° | 120.0° |
| C22 | N6 | C21 | 119.8° | 120.0° |
| C22 | N6 | H31 | 120.1° | 120.0° |
| C22 | C27 | C26 | 120.0° | 119.9° |
| C22 | C27 | CL3 | 120.1° | 120.1° |
| N6 | C21 | C20 | 113.6° | 120.0° |
| N6 | C21 | O1 | 124.4° | 120.0° |
| C21 | N6 | H31 | 120.1° | 120.0° |
| C7 | C6 | H6 | 110.2° | 109.9° |
| C7 | C6 | H7 | 110.2° | 110.0° |
| C6 | C7 | H24 | 110.1° | 110.3° |
| C6 | C7 | H25 | 110.1° | 110.3° |
| C20 | N5 | C2 | 126.3° | 126.4° |
| N5 | C20 | C21 | 107.7° | 109.4° |
| N5 | C20 | H21 | 109.9° | 109.5° |
| N5 | C20 | H22 | 109.9° | 109.4° |
| N5 | C2 | N1 | 108.0° | 110.1° |
| N5 | C2 | C1 | 125.9° | 125.0° |
| C20 | C21 | O1 | 122.0° | 120.0° |
| C21 | C20 | H21 | 109.9° | 109.5° |
| C21 | C20 | H22 | 109.9° | 109.5° |
| C26 | C27 | CL3 | 119.9° | 120.0° |
| C27 | C26 | H16 | 120.6° | 120.0° |
| N1 | C2 | C1 | 125.8° | 124.9° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.9° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 110.8° |
| H17 | C10 | H18 | 109.5° | 109.6° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H24 | C7 | H25 | 109.5° | 110.3° |
| H27 | C9 | H28 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H15 | 180.0° | 180.0° |
| C17 | C16 | C4 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.6° | 0.3° |
| C17 | C16 | C4 | C5 | 172.1° | 180.0° |
| C17 | C16 | C4 | C3 | 4.4° | 0.0° |
| C16 | C17 | C18 | H20 | 178.4° | 180.0° |
| C18 | C17 | C16 | C4 | 1.7° | 0.0° |
| C17 | C18 | C19 | H20 | 180.0° | 179.7° |
| C17 | C18 | C19 | C3 | 2.1° | 0.5° |
| C17 | C18 | C19 | N5 | 177.8° | 179.9° |
| C18 | C17 | C16 | H14 | 178.3° | 179.9° |
| N4 | C12 | C11 | C10 | 154.5° | 47.2° |
| N4 | C12 | C11 | C13 | 80.5° | 72.5° |
| N4 | C12 | C11 | H19 | 35.5° | 167.4° |
| CL1 | C23 | C24 | C22 | 178.4° | 180.0° |
| CL1 | C23 | C24 | C25 | 177.6° | 180.0° |
| CL1 | C23 | C22 | N6 | 0.9° | 0.0° |
| CL1 | C23 | C22 | C27 | 176.1° | 180.0° |
| CL1 | C23 | C24 | H23 | 2.4° | 0.0° |
| C16 | C4 | C5 | C3 | 176.4° | 180.0° |
| C16 | C4 | C5 | N2 | 100.9° | 100.0° |
| C16 | C4 | C3 | C19 | 3.8° | 0.2° |
| C16 | C4 | C3 | N1 | 175.4° | 180.0° |
| C16 | C4 | C5 | H4 | 19.5° | 20.0° |
| C16 | C4 | C5 | H5 | 138.8° | 140.0° |
| C4 | C16 | C17 | H15 | 178.3° | 180.0° |
| C12 | C11 | C10 | C13 | 124.0° | 119.9° |
| C12 | C11 | C10 | H19 | 118.5° | 120.2° |
| C12 | C11 | C10 | C9 | 178.1° | 177.6° |
| C12 | C11 | C13 | H19 | 115.6° | 120.1° |
| C12 | C11 | C13 | C14 | 178.4° | 177.6° |
| C12 | C11 | C13 | H8 | 58.2° | 57.7° |
| C12 | C11 | C13 | H9 | 61.4° | 62.5° |
| C12 | C11 | C10 | H17 | 57.9° | 57.6° |
| C12 | C11 | C10 | H18 | 61.7° | 62.5° |
| C11 | C10 | C9 | H17 | 120.2° | 119.9° |
| C11 | C10 | C9 | H18 | 120.2° | 119.9° |
| C10 | C11 | C13 | H19 | 117.6° | 120.0° |
| C11 | C10 | C9 | N3 | 56.9° | 59.2° |
| C10 | C11 | C13 | C14 | 54.8° | 57.6° |
| C10 | C11 | C13 | H8 | 175.1° | 62.3° |
| C10 | C11 | C13 | H9 | 65.4° | 177.6° |
| C11 | C10 | H17 | H18 | 119.4° | 120.1° |
| C11 | C10 | C9 | H27 | 177.6° | 179.2° |
| C11 | C10 | C9 | H28 | 63.8° | 60.8° |
| C9 | C10 | C11 | C13 | 54.1° | 57.6° |
| C10 | C9 | N3 | H27 | 120.7° | 120.1° |
| C10 | C9 | N3 | H28 | 120.7° | 120.0° |
| C10 | C9 | N3 | C14 | 55.0° | 61.7° |
| C10 | C9 | N3 | C8 | 179.3° | 174.1° |
| C9 | C10 | H17 | H18 | 119.4° | 120.1° |
| C9 | C10 | C11 | H19 | 63.4° | 62.3° |
| C10 | C9 | H27 | H28 | 117.8° | 120.0° |
| C18 | C19 | C3 | C4 | 0.7° | 0.4° |
| C18 | C19 | C3 | N5 | 180.0° | 179.7° |
| C18 | C19 | C3 | N1 | 178.7° | 179.7° |
| C18 | C19 | N5 | C20 | 3.6° | 0.4° |
| C18 | C19 | N5 | C2 | 179.8° | 179.5° |
| C19 | C18 | C17 | H15 | 178.4° | 179.7° |
| C23 | C24 | C25 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | CL2 | 178.1° | 179.8° |
| C23 | C24 | C25 | C26 | 0.9° | 0.0° |
| C24 | C23 | C22 | N6 | 179.3° | 180.0° |
| C24 | C23 | C22 | C27 | 2.3° | 0.0° |
| C25 | C24 | C23 | C22 | 0.8° | 0.0° |
| C24 | C25 | CL2 | C26 | 179.1° | 179.7° |
| C24 | C25 | C26 | C27 | 1.1° | 0.0° |
| C24 | C25 | C26 | H16 | 178.9° | 180.0° |
| C11 | C13 | C14 | H8 | 120.2° | 119.9° |
| C11 | C13 | C14 | H9 | 120.2° | 120.0° |
| C11 | C13 | C14 | N3 | 56.6° | 59.1° |
| C11 | C13 | H8 | H9 | 119.3° | 120.1° |
| C11 | C13 | C14 | H10 | 64.0° | 60.9° |
| C11 | C13 | C14 | H11 | 177.3° | 179.1° |
| C13 | C11 | C10 | H17 | 66.0° | 62.3° |
| C13 | C11 | C10 | H18 | 174.3° | 177.5° |
| C9 | N3 | C14 | C13 | 55.1° | 61.7° |
| C9 | N3 | C14 | C8 | 127.8° | 124.1° |
| C9 | N3 | C8 | C15 | 55.2° | 61.7° |
| C9 | N3 | C8 | C7 | 175.5° | 175.2° |
| C9 | N3 | C14 | H10 | 65.5° | 58.3° |
| C9 | N3 | C14 | H11 | 175.8° | 178.3° |
| N3 | C9 | C10 | H17 | 63.3° | 60.8° |
| N3 | C9 | C10 | H18 | 177.1° | 179.1° |
| C9 | N3 | C8 | H26 | 62.6° | 61.6° |
| N3 | C9 | H27 | H28 | 117.8° | 119.9° |
| C23 | C22 | N6 | C27 | 176.9° | 179.9° |
| C23 | C22 | N6 | C21 | 102.8° | 42.4° |
| C23 | C22 | C27 | C26 | 2.1° | 0.0° |
| C23 | C22 | C27 | CL3 | 179.2° | 180.0° |
| C22 | C23 | C24 | H23 | 179.2° | 180.0° |
| C23 | C22 | N6 | H31 | 77.2° | 137.6° |
| C4 | C5 | N2 | H4 | 120.4° | 120.0° |
| C4 | C5 | N2 | H5 | 120.4° | 120.0° |
| C4 | C5 | N2 | C15 | 57.8° | 170.0° |
| C5 | C4 | C3 | C19 | 172.7° | 179.8° |
| C5 | C4 | C3 | N1 | 8.1° | 0.0° |
| C4 | C5 | N2 | C6 | 175.4° | 72.6° |
| C4 | C5 | H4 | H5 | 118.9° | 120.0° |
| C5 | C4 | C16 | H14 | 7.9° | 0.0° |
| C3 | C4 | C5 | N2 | 75.5° | 80.0° |
| C4 | C3 | C19 | N1 | 179.4° | 179.8° |
| C4 | C3 | C19 | N5 | 179.4° | 179.9° |
| C4 | C3 | N1 | C2 | 178.7° | 180.0° |
| C3 | C4 | C5 | H4 | 164.2° | 160.0° |
| C3 | C4 | C5 | H5 | 44.9° | 40.0° |
| C3 | C4 | C16 | H14 | 175.6° | 180.0° |
| C13 | C14 | N3 | H10 | 120.6° | 120.0° |
| C13 | C14 | N3 | H11 | 120.6° | 120.0° |
| C13 | C14 | N3 | C8 | 177.0° | 174.1° |
| C14 | C13 | H8 | H9 | 119.3° | 120.1° |
| C13 | C14 | H10 | H11 | 118.0° | 120.0° |
| C14 | C13 | C11 | H19 | 62.8° | 62.3° |
| C5 | N2 | C15 | C6 | 123.1° | 120.5° |
| C5 | N2 | C15 | C8 | 162.6° | 159.7° |
| C5 | N2 | C6 | C7 | 154.0° | 145.9° |
| N2 | C5 | H4 | H5 | 118.9° | 120.0° |
| C5 | N2 | C6 | H6 | 34.4° | 94.8° |
| C5 | N2 | C6 | H7 | 86.5° | 26.4° |
| C5 | N2 | C15 | H12 | 78.3° | 41.3° |
| C5 | N2 | C15 | H13 | 43.5° | 81.9° |
| C14 | N3 | C8 | C15 | 177.9° | 174.1° |
| C14 | N3 | C8 | C7 | 61.7° | 60.5° |
| N3 | C14 | C13 | H8 | 176.8° | 60.8° |
| N3 | C14 | C13 | H9 | 63.6° | 179.1° |
| N3 | C14 | H10 | H11 | 118.1° | 120.0° |
| C14 | N3 | C8 | H26 | 60.2° | 62.7° |
| C14 | N3 | C9 | H27 | 175.7° | 178.2° |
| C14 | N3 | C9 | H28 | 65.8° | 58.3° |
| N3 | C8 | C15 | N2 | 159.3° | 155.8° |
| N3 | C8 | C15 | C7 | 127.3° | 118.4° |
| N3 | C8 | C15 | H26 | 118.4° | 123.3° |
| N3 | C8 | C7 | H26 | 121.9° | 123.3° |
| N3 | C8 | C7 | C6 | 137.9° | 140.3° |
| C8 | N3 | C14 | H10 | 62.3° | 65.9° |
| C8 | N3 | C14 | H11 | 56.4° | 54.2° |
| N3 | C8 | C15 | H12 | 81.6° | 37.3° |
| N3 | C8 | C15 | H13 | 40.2° | 85.8° |
| N3 | C8 | C7 | H24 | 102.5° | 21.5° |
| N3 | C8 | C7 | H25 | 18.3° | 100.7° |
| C8 | N3 | C9 | H27 | 58.6° | 54.1° |
| C8 | N3 | C9 | H28 | 60.0° | 65.8° |
| N2 | C15 | C8 | H12 | 119.1° | 118.4° |
| N2 | C15 | C8 | H13 | 119.1° | 118.4° |
| N2 | C15 | C8 | C7 | 32.0° | 37.4° |
| C15 | N2 | C6 | C7 | 31.0° | 25.3° |
| C15 | N2 | C5 | H4 | 62.5° | 50.0° |
| C15 | N2 | C5 | H5 | 178.2° | 70.0° |
| C15 | N2 | C6 | H6 | 88.5° | 144.7° |
| C15 | N2 | C6 | H7 | 150.6° | 94.1° |
| N2 | C15 | H12 | H13 | 122.5° | 123.2° |
| N2 | C15 | C8 | H26 | 82.3° | 80.9° |
| C8 | C15 | N2 | C6 | 39.5° | 39.2° |
| C15 | C8 | C7 | H26 | 113.4° | 118.3° |
| C15 | C8 | C7 | C6 | 13.2° | 21.9° |
| C8 | C15 | H12 | H13 | 122.6° | 123.0° |
| C15 | C8 | C7 | H24 | 132.8° | 97.0° |
| C15 | C8 | C7 | H25 | 106.3° | 140.9° |
| C3 | C19 | N5 | C20 | 176.4° | 180.0° |
| C3 | C19 | N5 | C2 | 0.1° | 0.2° |
| C19 | C3 | N1 | C2 | 2.0° | 0.2° |
| C3 | C19 | C18 | H20 | 177.9° | 179.8° |
| N5 | C19 | C3 | N1 | 1.2° | 0.0° |
| C19 | N5 | C20 | C2 | 176.0° | 179.8° |
| C19 | N5 | C20 | C21 | 68.4° | 90.0° |
| C19 | N5 | C2 | N1 | 1.1° | 0.3° |
| C19 | N5 | C2 | C1 | 174.9° | 180.0° |
| N5 | C19 | C18 | H20 | 2.2° | 0.2° |
| C19 | N5 | C20 | H21 | 171.9° | 30.0° |
| C19 | N5 | C20 | H22 | 51.3° | 150.0° |
| CL2 | C25 | C26 | C27 | 177.9° | 179.7° |
| CL2 | C25 | C26 | H16 | 2.1° | 0.3° |
| CL2 | C25 | C24 | H23 | 1.9° | 0.3° |
| C25 | C26 | C27 | C22 | 0.5° | 0.0° |
| C25 | C26 | C27 | H16 | 180.0° | 180.0° |
| C25 | C26 | C27 | CL3 | 179.2° | 180.0° |
| C26 | C25 | C24 | H23 | 179.1° | 180.0° |
| C3 | N1 | C2 | N5 | 1.9° | 0.3° |
| C3 | N1 | C2 | C1 | 175.7° | 180.0° |
| N2 | C6 | C7 | C8 | 11.3° | 1.3° |
| N2 | C6 | C7 | H6 | 119.5° | 119.4° |
| N2 | C6 | C7 | H7 | 119.5° | 119.5° |
| C6 | N2 | C5 | H4 | 55.0° | 167.4° |
| C6 | N2 | C5 | H5 | 64.2° | 47.4° |
| N2 | C6 | H6 | H7 | 121.4° | 121.3° |
| C6 | N2 | C15 | H12 | 158.6° | 79.2° |
| C6 | N2 | C15 | H13 | 79.7° | 157.6° |
| N2 | C6 | C7 | H24 | 108.3° | 120.1° |
| N2 | C6 | C7 | H25 | 130.9° | 117.8° |
| C8 | C7 | C6 | H24 | 119.6° | 118.9° |
| C8 | C7 | C6 | H25 | 119.6° | 119.1° |
| C8 | C7 | C6 | H6 | 108.2° | 120.6° |
| C8 | C7 | C6 | H7 | 130.8° | 118.3° |
| C7 | C8 | C15 | H12 | 151.1° | 81.1° |
| C7 | C8 | C15 | H13 | 87.1° | 155.8° |
| C8 | C7 | H24 | H25 | 121.2° | 122.2° |
| C22 | N6 | C21 | H31 | 180.0° | 179.9° |
| C22 | N6 | C21 | C20 | 177.7° | 176.5° |
| C22 | N6 | C21 | O1 | 2.4° | 3.6° |
| N6 | C22 | C27 | C26 | 179.0° | 180.0° |
| N6 | C22 | C27 | CL3 | 2.3° | 0.0° |
| C27 | C22 | N6 | C21 | 80.3° | 137.6° |
| C22 | C27 | C26 | CL3 | 178.8° | 180.0° |
| C22 | C27 | C26 | H16 | 179.5° | 180.0° |
| C27 | C22 | N6 | H31 | 99.7° | 42.3° |
| N6 | C21 | C20 | N5 | 153.6° | 180.0° |
| N6 | C21 | C20 | O1 | 179.9° | 180.0° |
| N6 | C21 | C20 | H21 | 86.7° | 60.0° |
| N6 | C21 | C20 | H22 | 33.8° | 60.1° |
| C7 | C6 | H6 | H7 | 121.4° | 121.2° |
| C6 | C7 | H24 | H25 | 121.2° | 122.1° |
| C6 | C7 | C8 | H26 | 100.2° | 96.4° |
| N5 | C20 | C21 | H21 | 119.7° | 120.0° |
| N5 | C20 | C21 | H22 | 119.7° | 119.9° |
| N5 | C20 | C21 | O1 | 26.6° | 0.0° |
| C20 | N5 | C2 | N1 | 177.5° | 179.9° |
| C20 | N5 | C2 | C1 | 8.7° | 0.2° |
| N5 | C20 | H21 | H22 | 120.9° | 120.0° |
| C2 | N5 | C20 | C21 | 107.6° | 90.2° |
| N5 | C2 | N1 | C1 | 173.8° | 179.7° |
| N5 | C2 | C1 | H1 | 172.7° | 90.3° |
| N5 | C2 | C1 | H2 | 52.7° | 29.7° |
| N5 | C2 | C1 | H3 | 67.3° | 149.7° |
| C2 | N5 | C20 | H21 | 12.1° | 149.8° |
| C2 | N5 | C20 | H22 | 132.7° | 29.8° |
| C21 | C20 | H21 | H22 | 120.8° | 120.1° |
| C20 | C21 | N6 | H31 | 2.3° | 3.6° |
| O1 | C21 | C20 | H21 | 93.2° | 120.0° |
| O1 | C21 | C20 | H22 | 146.3° | 119.9° |
| O1 | C21 | N6 | H31 | 177.6° | 176.4° |
| N1 | C2 | C1 | H1 | 0.0° | 90.1° |
| N1 | C2 | C1 | H2 | 120.0° | 149.9° |
| N1 | C2 | C1 | H3 | 120.0° | 29.9° |
| CL3 | C27 | C26 | H16 | 0.7° | 0.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C6 | C7 | H24 | 132.2° | 120.5° |
| H6 | C6 | C7 | H25 | 11.3° | 1.5° |
| H7 | C6 | C7 | H24 | 11.2° | 0.6° |
| H7 | C6 | C7 | H25 | 109.6° | 122.7° |
| H8 | C13 | C14 | H10 | 56.2° | 179.2° |
| H8 | C13 | C14 | H11 | 62.5° | 59.2° |
| H8 | C13 | C11 | H19 | 57.4° | 177.7° |
| H9 | C13 | C14 | H10 | 175.8° | 59.1° |
| H9 | C13 | C14 | H11 | 57.1° | 60.9° |
| H9 | C13 | C11 | H19 | 177.0° | 57.6° |
| H12 | C15 | C8 | H26 | 36.9° | 160.6° |
| H13 | C15 | C8 | H26 | 158.6° | 37.5° |
| H14 | C16 | C17 | H15 | 1.7° | 0.1° |
| H15 | C17 | C18 | H20 | 1.6° | 0.0° |
| H17 | C10 | C11 | H19 | 176.4° | 177.8° |
| H17 | C10 | C9 | H27 | 57.5° | 59.3° |
| H17 | C10 | C9 | H28 | 176.0° | 179.3° |
| H18 | C10 | C11 | H19 | 56.8° | 57.6° |
| H18 | C10 | C9 | H27 | 62.2° | 60.9° |
| H18 | C10 | C9 | H28 | 56.4° | 59.1° |
| H24 | C7 | C8 | H26 | 19.4° | 144.7° |
| H25 | C7 | C8 | H26 | 140.3° | 22.6° |
