A1AG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C27 | sing | 1.74Å | 1.74Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C21 | doub | 1.21Å | 1.23Å | |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | N2 | sing | 1.46Å | 1.46Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | N2 | sing | 1.35Å | 1.33Å | |
| C21 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C26 | CL1 | sing | 1.74Å | 1.74Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N1 | sing | 1.46Å | 1.46Å | |
| C14 | N1 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N1 | C15 | sing | 1.34Å | 1.35Å | |
| C13 | C4 | sing | 1.53Å | 1.55Å | |
| C15 | O | doub | 1.21Å | 1.22Å | |
| C15 | C | sing | 1.50Å | 1.53Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N | sing | 1.44Å | 1.48Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C | N | sing | 1.47Å | 1.48Å | |
| C | C1 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| N | C3 | sing | 1.48Å | 1.48Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| N3 | H29 | sing | 1.01Å | 1.00Å | |
| N3 | H30 | sing | 1.01Å | 1.00Å | |
| C8 | H32 | sing | 1.08Å | 1.08Å | |
| C9 | H33 | sing | 1.08Å | 1.08Å | |
| C10 | H34 | sing | 1.08Å | 1.08Å | |
| C12 | H35 | sing | 1.08Å | 1.08Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C27 | C28 | 118.6° | 120.1° |
| CL | C27 | C26 | 121.3° | 120.0° |
| C19 | C18 | C20 | 110.3° | 109.4° |
| C19 | C18 | C17 | 111.0° | 109.4° |
| C19 | C18 | H9 | 107.9° | 109.4° |
| C18 | C19 | H10 | 109.5° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C27 | C28 | C23 | 120.5° | 120.0° |
| C28 | C27 | C26 | 120.1° | 119.9° |
| C27 | C28 | H17 | 119.8° | 120.0° |
| C28 | C23 | C22 | 120.9° | 119.9° |
| C28 | C23 | C24 | 118.8° | 120.0° |
| C23 | C28 | H17 | 119.7° | 120.0° |
| O1 | C21 | N2 | 123.3° | 119.9° |
| O1 | C21 | C16 | 121.1° | 120.0° |
| C27 | C26 | CL1 | 121.6° | 120.0° |
| C27 | C26 | C25 | 119.7° | 120.0° |
| C23 | C22 | N2 | 111.8° | 109.5° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C23 | C22 | H13 | 108.9° | 109.5° |
| C23 | C22 | H14 | 108.9° | 109.4° |
| C22 | N2 | C21 | 122.1° | 120.1° |
| N2 | C22 | H13 | 108.9° | 109.5° |
| N2 | C22 | H14 | 108.9° | 109.4° |
| C22 | N2 | H28 | 119.0° | 120.0° |
| C20 | C18 | C17 | 111.9° | 109.5° |
| C20 | C18 | H9 | 107.8° | 109.5° |
| C18 | C20 | H36 | 109.5° | 109.4° |
| C18 | C20 | H37 | 109.4° | 109.5° |
| C18 | C20 | H38 | 109.5° | 109.5° |
| C18 | C17 | C16 | 114.9° | 109.4° |
| C18 | C17 | H7 | 108.1° | 109.5° |
| C18 | C17 | H8 | 108.1° | 109.5° |
| C17 | C18 | H9 | 107.8° | 109.5° |
| C23 | C24 | C25 | 121.1° | 120.0° |
| C23 | C24 | H15 | 119.5° | 120.0° |
| N2 | C21 | C16 | 115.6° | 120.1° |
| C21 | N2 | H28 | 118.9° | 120.0° |
| C21 | C16 | C17 | 113.5° | 109.4° |
| C21 | C16 | N1 | 110.9° | 109.5° |
| C21 | C16 | H6 | 106.8° | 109.5° |
| C17 | C16 | N1 | 111.0° | 109.4° |
| C17 | C16 | H6 | 106.8° | 109.5° |
| C16 | C17 | H7 | 108.1° | 109.5° |
| C16 | C17 | H8 | 108.1° | 109.5° |
| CL1 | C26 | C25 | 118.7° | 120.0° |
| C26 | C25 | C24 | 119.9° | 120.0° |
| C26 | C25 | H16 | 120.0° | 120.0° |
| C25 | C24 | H15 | 119.5° | 120.0° |
| C24 | C25 | H16 | 120.1° | 120.0° |
| C16 | N1 | C14 | 118.4° | 119.9° |
| C16 | N1 | C15 | 119.0° | 120.0° |
| N1 | C16 | H6 | 107.6° | 109.5° |
| N1 | C14 | C13 | 111.5° | 109.4° |
| C14 | N1 | C15 | 122.5° | 120.1° |
| N1 | C14 | H4 | 109.0° | 109.5° |
| N1 | C14 | H5 | 109.0° | 109.5° |
| C14 | C13 | C4 | 115.8° | 110.4° |
| C14 | C13 | H2 | 107.9° | 109.3° |
| C14 | C13 | H3 | 107.9° | 109.2° |
| C13 | C14 | H4 | 109.0° | 109.5° |
| C13 | C14 | H5 | 109.0° | 109.5° |
| N1 | C15 | O | 122.5° | 120.6° |
| N1 | C15 | C | 115.9° | 118.8° |
| C13 | C4 | C5 | 108.4° | 108.9° |
| C13 | C4 | N | 113.3° | 112.6° |
| C4 | C13 | H2 | 107.9° | 109.3° |
| C4 | C13 | H3 | 107.9° | 109.3° |
| C13 | C4 | H23 | 105.9° | 108.9° |
| O | C15 | C | 121.5° | 120.6° |
| C15 | C | N | 108.3° | 109.9° |
| C15 | C | C1 | 113.5° | 110.7° |
| C15 | C | H39 | 109.5° | 109.7° |
| C11 | C12 | C7 | 120.7° | 120.0° |
| C12 | C11 | C10 | 120.3° | 119.9° |
| C12 | C11 | H1 | 119.9° | 120.1° |
| C11 | C12 | H35 | 119.7° | 120.0° |
| C12 | C7 | C6 | 120.5° | 120.0° |
| C12 | C7 | C8 | 118.5° | 120.0° |
| C7 | C12 | H35 | 119.7° | 120.0° |
| C5 | C6 | C7 | 115.3° | 109.5° |
| C6 | C5 | C4 | 116.9° | 109.5° |
| C6 | C5 | H24 | 107.6° | 109.5° |
| C6 | C5 | H25 | 107.6° | 109.5° |
| C5 | C6 | H26 | 108.0° | 109.4° |
| C5 | C6 | H27 | 108.0° | 109.5° |
| C6 | C7 | C8 | 121.0° | 120.0° |
| C7 | C6 | H26 | 108.0° | 109.4° |
| C7 | C6 | H27 | 108.0° | 109.5° |
| C5 | C4 | N | 115.9° | 108.9° |
| C5 | C4 | H23 | 106.0° | 108.8° |
| C4 | C5 | H24 | 107.6° | 109.5° |
| C4 | C5 | H25 | 107.6° | 109.5° |
| C4 | N | C | 113.8° | 114.1° |
| C4 | N | C3 | 116.1° | 113.2° |
| N | C4 | H23 | 106.6° | 108.7° |
| C11 | C10 | C9 | 119.6° | 120.0° |
| C10 | C11 | H1 | 119.9° | 120.0° |
| C11 | C10 | H34 | 120.2° | 120.0° |
| N | C | C1 | 105.8° | 107.1° |
| C | N | C3 | 107.2° | 105.9° |
| N | C | H39 | 110.3° | 109.7° |
| C | C1 | C2 | 104.5° | 105.0° |
| C | C1 | H18 | 110.7° | 110.3° |
| C | C1 | H19 | 110.7° | 110.4° |
| C1 | C | H39 | 109.5° | 109.7° |
| C7 | C8 | C9 | 120.7° | 120.0° |
| C7 | C8 | H32 | 119.7° | 120.0° |
| N | C3 | C2 | 102.0° | 102.7° |
| N | C3 | H21 | 111.3° | 110.7° |
| N | C3 | H22 | 111.3° | 110.9° |
| C10 | C9 | C8 | 120.2° | 120.0° |
| C10 | C9 | H33 | 119.9° | 120.0° |
| C9 | C10 | H34 | 120.2° | 120.0° |
| C1 | C2 | C3 | 101.7° | 103.0° |
| C1 | C2 | N3 | 109.0° | 110.7° |
| C2 | C1 | H18 | 110.7° | 110.4° |
| C2 | C1 | H19 | 110.7° | 110.4° |
| C1 | C2 | H20 | 109.0° | 110.7° |
| C9 | C8 | H32 | 119.7° | 120.0° |
| C8 | C9 | H33 | 119.9° | 120.0° |
| C3 | C2 | N3 | 117.6° | 110.7° |
| C3 | C2 | H20 | 109.1° | 110.9° |
| C2 | C3 | H21 | 111.3° | 110.8° |
| C2 | C3 | H22 | 111.3° | 110.8° |
| N3 | C2 | H20 | 109.9° | 110.6° |
| C2 | N3 | H29 | 109.5° | 110.9° |
| C2 | N3 | H30 | 109.4° | 111.0° |
| H2 | C13 | H3 | 109.5° | 109.3° |
| H4 | C14 | H5 | 109.4° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.6° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H18 | C1 | H19 | 109.5° | 110.3° |
| H21 | C3 | H22 | 109.5° | 110.7° |
| H24 | C5 | H25 | 109.4° | 109.4° |
| H26 | C6 | H27 | 109.5° | 109.5° |
| H29 | N3 | H30 | 109.5° | 111.0° |
| H36 | C20 | H37 | 109.5° | 109.4° |
| H36 | C20 | H38 | 109.5° | 109.5° |
| H37 | C20 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C27 | C28 | C26 | 178.5° | 179.5° |
| CL | C27 | C28 | C23 | 178.8° | 180.0° |
| CL | C27 | C26 | CL1 | 4.8° | 0.3° |
| CL | C27 | C26 | C25 | 177.4° | 179.8° |
| CL | C27 | C28 | H17 | 1.3° | 0.5° |
| C19 | C18 | C20 | C17 | 124.1° | 120.0° |
| C19 | C18 | C20 | H9 | 117.6° | 120.0° |
| C19 | C18 | C17 | H9 | 118.0° | 120.0° |
| C19 | C18 | C17 | C16 | 176.4° | 173.5° |
| C19 | C18 | C17 | H7 | 62.8° | 53.5° |
| C19 | C18 | C17 | H8 | 55.6° | 66.6° |
| C18 | C19 | H10 | H11 | 120.0° | 120.0° |
| C18 | C19 | H10 | H12 | 120.0° | 120.0° |
| C18 | C19 | H11 | H12 | 120.0° | 120.1° |
| C19 | C18 | C20 | H36 | 180.0° | 174.6° |
| C19 | C18 | C20 | H37 | 60.0° | 54.7° |
| C19 | C18 | C20 | H38 | 60.0° | 65.3° |
| C27 | C28 | C23 | H17 | 180.0° | 179.5° |
| C27 | C28 | C23 | C22 | 176.5° | 179.7° |
| C27 | C28 | C23 | C24 | 1.2° | 0.5° |
| C28 | C27 | C26 | CL1 | 176.8° | 179.8° |
| C28 | C27 | C26 | C25 | 1.1° | 0.2° |
| C23 | C28 | C27 | C26 | 0.2° | 0.5° |
| C28 | C23 | C22 | C24 | 177.6° | 179.8° |
| C28 | C23 | C22 | N2 | 109.1° | 90.3° |
| C28 | C23 | C24 | C25 | 0.8° | 0.3° |
| C28 | C23 | C22 | H13 | 130.6° | 29.8° |
| C28 | C23 | C22 | H14 | 11.2° | 149.7° |
| C28 | C23 | C24 | H15 | 179.2° | 179.8° |
| O1 | C21 | N2 | C22 | 3.9° | 4.3° |
| O1 | C21 | N2 | C16 | 176.9° | 179.9° |
| O1 | C21 | C16 | C17 | 35.4° | 104.1° |
| O1 | C21 | C16 | N1 | 90.3° | 15.9° |
| O1 | C21 | C16 | H6 | 152.8° | 135.9° |
| O1 | C21 | N2 | H28 | 176.1° | 175.8° |
| C27 | C26 | CL1 | C25 | 177.9° | 179.9° |
| C27 | C26 | C25 | C24 | 1.5° | 0.0° |
| C27 | C26 | C25 | H16 | 178.5° | 180.0° |
| C26 | C27 | C28 | H17 | 179.8° | 180.0° |
| C23 | C22 | N2 | H13 | 120.3° | 120.1° |
| C23 | C22 | N2 | H14 | 120.3° | 119.9° |
| C23 | C22 | N2 | C21 | 79.9° | 180.0° |
| C22 | C23 | C24 | C25 | 176.9° | 179.9° |
| C23 | C22 | H13 | H14 | 118.9° | 119.9° |
| C22 | C23 | C24 | H15 | 3.1° | 0.0° |
| C22 | C23 | C28 | H17 | 3.5° | 0.2° |
| C23 | C22 | N2 | H28 | 100.1° | 0.1° |
| N2 | C22 | C23 | C24 | 68.5° | 89.9° |
| C22 | N2 | C21 | H28 | 180.0° | 179.9° |
| C22 | N2 | C21 | C16 | 179.1° | 175.7° |
| N2 | C22 | H13 | H14 | 118.9° | 120.0° |
| C20 | C18 | C17 | H9 | 118.3° | 120.1° |
| C20 | C18 | C17 | C16 | 59.9° | 66.6° |
| C20 | C18 | C17 | H7 | 60.9° | 173.5° |
| C20 | C18 | C17 | H8 | 179.3° | 53.4° |
| C20 | C18 | C19 | H10 | 180.0° | 60.0° |
| C20 | C18 | C19 | H11 | 60.0° | 180.0° |
| C20 | C18 | C19 | H12 | 60.0° | 60.0° |
| C18 | C20 | H36 | H37 | 120.0° | 120.0° |
| C18 | C20 | H36 | H38 | 120.0° | 120.0° |
| C18 | C20 | H37 | H38 | 120.0° | 120.0° |
| C18 | C17 | C16 | C21 | 74.6° | 66.3° |
| C18 | C17 | C16 | H7 | 120.8° | 119.9° |
| C18 | C17 | C16 | H8 | 120.8° | 120.0° |
| C18 | C17 | C16 | N1 | 159.7° | 173.7° |
| C18 | C17 | C16 | H6 | 42.7° | 53.7° |
| C18 | C17 | H7 | H8 | 117.6° | 120.0° |
| C17 | C18 | C19 | H10 | 55.4° | 180.0° |
| C17 | C18 | C19 | H11 | 64.6° | 60.0° |
| C17 | C18 | C19 | H12 | 175.4° | 60.0° |
| C17 | C18 | C20 | H36 | 55.9° | 65.4° |
| C17 | C18 | C20 | H37 | 176.0° | 174.6° |
| C17 | C18 | C20 | H38 | 64.1° | 54.6° |
| C23 | C24 | C25 | C26 | 0.5° | 0.1° |
| C23 | C24 | C25 | H15 | 180.0° | 179.9° |
| C24 | C23 | C22 | H13 | 51.8° | 150.0° |
| C24 | C23 | C22 | H14 | 171.1° | 30.0° |
| C23 | C24 | C25 | H16 | 179.5° | 179.9° |
| C24 | C23 | C28 | H17 | 178.8° | 180.0° |
| N2 | C21 | C16 | C17 | 147.6° | 76.0° |
| N2 | C21 | C16 | N1 | 86.7° | 164.1° |
| N2 | C21 | C16 | H6 | 30.2° | 44.0° |
| C21 | N2 | C22 | H13 | 159.8° | 59.9° |
| C21 | N2 | C22 | H14 | 40.5° | 60.1° |
| C21 | C16 | C17 | N1 | 125.7° | 120.0° |
| C21 | C16 | C17 | H6 | 117.4° | 120.0° |
| C21 | C16 | N1 | H6 | 116.4° | 120.0° |
| C21 | C16 | N1 | C14 | 45.2° | 114.4° |
| C21 | C16 | N1 | C15 | 132.8° | 65.6° |
| C21 | C16 | C17 | H7 | 164.6° | 53.6° |
| C21 | C16 | C17 | H8 | 46.2° | 173.7° |
| C16 | C21 | N2 | H28 | 0.9° | 4.2° |
| C17 | C16 | N1 | H6 | 116.4° | 120.0° |
| C17 | C16 | N1 | C14 | 81.9° | 125.6° |
| C17 | C16 | N1 | C15 | 100.1° | 54.4° |
| C16 | C17 | H7 | H8 | 117.5° | 120.0° |
| C16 | C17 | C18 | H9 | 58.4° | 53.5° |
| CL1 | C26 | C25 | C24 | 176.4° | 180.0° |
| CL1 | C26 | C25 | H16 | 3.5° | 0.0° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C26 | C25 | C24 | H15 | 179.5° | 180.0° |
| C16 | N1 | C14 | C15 | 178.0° | 180.0° |
| C16 | N1 | C14 | C13 | 109.1° | 109.0° |
| C16 | N1 | C15 | O | 1.0° | 0.8° |
| C16 | N1 | C15 | C | 177.3° | 179.3° |
| C16 | N1 | C14 | H4 | 130.6° | 11.1° |
| C16 | N1 | C14 | H5 | 11.2° | 131.1° |
| N1 | C16 | C17 | H7 | 38.9° | 66.4° |
| N1 | C16 | C17 | H8 | 79.5° | 53.7° |
| N1 | C14 | C13 | H4 | 120.3° | 120.0° |
| N1 | C14 | C13 | H5 | 120.3° | 120.0° |
| N1 | C14 | C13 | C4 | 77.5° | 86.0° |
| C14 | N1 | C15 | O | 176.9° | 179.2° |
| C14 | N1 | C15 | C | 0.7° | 0.7° |
| N1 | C14 | C13 | H2 | 161.6° | 153.8° |
| N1 | C14 | C13 | H3 | 43.4° | 34.3° |
| N1 | C14 | H4 | H5 | 119.1° | 120.0° |
| C14 | N1 | C16 | H6 | 161.7° | 5.6° |
| C13 | C14 | N1 | C15 | 68.9° | 71.0° |
| C14 | C13 | C4 | H2 | 120.9° | 120.3° |
| C14 | C13 | C4 | H3 | 120.9° | 120.1° |
| C14 | C13 | C4 | C5 | 174.4° | 173.4° |
| C14 | C13 | C4 | N | 55.5° | 65.8° |
| C14 | C13 | H2 | H3 | 117.1° | 119.4° |
| C13 | C14 | H4 | H5 | 119.1° | 120.0° |
| C14 | C13 | C4 | H23 | 61.0° | 54.9° |
| N1 | C15 | O | C | 176.1° | 179.9° |
| N1 | C15 | C | N | 73.5° | 69.5° |
| N1 | C15 | C | C1 | 169.4° | 172.5° |
| C15 | N1 | C14 | H4 | 51.4° | 168.9° |
| C15 | N1 | C14 | H5 | 170.8° | 48.9° |
| C15 | N1 | C16 | H6 | 16.4° | 174.4° |
| N1 | C15 | C | H39 | 46.8° | 51.3° |
| C13 | C4 | C5 | C6 | 70.3° | 62.5° |
| C13 | C4 | C5 | N | 128.6° | 123.1° |
| C13 | C4 | C5 | H23 | 113.3° | 118.6° |
| C13 | C4 | N | H23 | 116.1° | 120.7° |
| C13 | C4 | N | C | 62.6° | 67.6° |
| C13 | C4 | N | C3 | 172.3° | 171.2° |
| C4 | C13 | H2 | H3 | 117.1° | 119.6° |
| C4 | C13 | C14 | H4 | 42.8° | 154.0° |
| C4 | C13 | C14 | H5 | 162.2° | 34.0° |
| C13 | C4 | C5 | H24 | 168.6° | 177.4° |
| C13 | C4 | C5 | H25 | 50.7° | 57.5° |
| O | C15 | C | N | 102.9° | 110.6° |
| O | C15 | C | C1 | 14.2° | 7.4° |
| O | C15 | C | H39 | 136.9° | 128.6° |
| C15 | C | N | C4 | 91.2° | 86.9° |
| C15 | C | N | C1 | 121.9° | 120.3° |
| C15 | C | N | H39 | 119.8° | 120.7° |
| C15 | C | C1 | H39 | 122.6° | 121.2° |
| C15 | C | N | C3 | 139.0° | 148.0° |
| C15 | C | C1 | C2 | 108.1° | 123.3° |
| C15 | C | C1 | H18 | 11.2° | 117.8° |
| C15 | C | C1 | H19 | 132.7° | 4.4° |
| C11 | C12 | C7 | H35 | 180.0° | 179.9° |
| C11 | C12 | C7 | C6 | 178.7° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C7 | C8 | 0.6° | 0.0° |
| C12 | C11 | C10 | C9 | 1.1° | 0.3° |
| C12 | C11 | C10 | H34 | 178.9° | 179.7° |
| C12 | C7 | C6 | C5 | 124.1° | 90.0° |
| C12 | C7 | C6 | C8 | 179.3° | 179.9° |
| C7 | C12 | C11 | C10 | 0.8° | 0.1° |
| C12 | C7 | C8 | C9 | 1.8° | 0.3° |
| C7 | C12 | C11 | H1 | 179.2° | 179.7° |
| C12 | C7 | C6 | H26 | 3.2° | 150.0° |
| C12 | C7 | C6 | H27 | 115.1° | 30.1° |
| C12 | C7 | C8 | H32 | 178.2° | 180.0° |
| C5 | C6 | C7 | H26 | 120.8° | 120.0° |
| C5 | C6 | C7 | H27 | 120.8° | 120.1° |
| C6 | C5 | C4 | H24 | 121.1° | 120.0° |
| C6 | C5 | C4 | H25 | 121.1° | 120.0° |
| C6 | C5 | C4 | N | 161.0° | 60.5° |
| C5 | C6 | C7 | C8 | 55.2° | 89.9° |
| C6 | C5 | C4 | H23 | 43.0° | 178.9° |
| C6 | C5 | H24 | H25 | 116.6° | 120.0° |
| C5 | C6 | H26 | H27 | 117.3° | 120.0° |
| C7 | C6 | C5 | C4 | 57.0° | 175.6° |
| C6 | C7 | C8 | C9 | 177.5° | 179.8° |
| C7 | C6 | C5 | H24 | 64.0° | 64.4° |
| C7 | C6 | C5 | H25 | 178.1° | 55.6° |
| C7 | C6 | H26 | H27 | 117.4° | 120.0° |
| C6 | C7 | C8 | H32 | 2.5° | 0.1° |
| C6 | C7 | C12 | H35 | 1.3° | 0.1° |
| C5 | C4 | N | H23 | 117.7° | 118.4° |
| C5 | C4 | N | C | 171.2° | 171.5° |
| C5 | C4 | N | C3 | 46.1° | 50.4° |
| C5 | C4 | C13 | H2 | 53.5° | 53.1° |
| C5 | C4 | C13 | H3 | 64.7° | 66.5° |
| C4 | C5 | H24 | H25 | 116.6° | 120.0° |
| C4 | C5 | C6 | H26 | 63.8° | 55.6° |
| C4 | C5 | C6 | H27 | 177.9° | 64.4° |
| C4 | N | C | C3 | 129.8° | 125.1° |
| C4 | N | C | C1 | 146.8° | 152.8° |
| C4 | N | C3 | C2 | 166.3° | 166.1° |
| N | C4 | C13 | H2 | 176.5° | 173.9° |
| N | C4 | C13 | H3 | 65.4° | 54.4° |
| C4 | N | C3 | H21 | 47.5° | 75.6° |
| C4 | N | C3 | H22 | 74.9° | 47.7° |
| N | C4 | C5 | H24 | 39.9° | 59.5° |
| N | C4 | C5 | H25 | 77.9° | 179.4° |
| C4 | N | C | H39 | 28.5° | 33.8° |
| C11 | C10 | C9 | H34 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.5° |
| C11 | C10 | C9 | H33 | 179.9° | 179.9° |
| C10 | C11 | C12 | H35 | 179.2° | 180.0° |
| N | C | C1 | H39 | 118.8° | 119.0° |
| N | C | C1 | C2 | 10.5° | 3.6° |
| C | N | C3 | C2 | 37.9° | 40.4° |
| N | C | C1 | H18 | 129.7° | 122.5° |
| N | C | C1 | H19 | 108.7° | 115.4° |
| C | N | C3 | H21 | 80.9° | 158.7° |
| C | N | C3 | H22 | 156.6° | 78.0° |
| C | N | C4 | H23 | 53.5° | 53.1° |
| C1 | C | N | C3 | 17.0° | 27.7° |
| C | C1 | C2 | H18 | 119.2° | 118.9° |
| C | C1 | C2 | H19 | 119.2° | 119.0° |
| C | C1 | C2 | C3 | 32.9° | 20.4° |
| C | C1 | C2 | N3 | 157.8° | 138.7° |
| C | C1 | H18 | H19 | 122.3° | 122.2° |
| C | C1 | C2 | H20 | 82.3° | 98.2° |
| C7 | C8 | C9 | C10 | 1.6° | 0.5° |
| C7 | C8 | C9 | H32 | 180.0° | 179.7° |
| C8 | C7 | C6 | H26 | 176.1° | 30.0° |
| C8 | C7 | C6 | H27 | 65.6° | 150.0° |
| C7 | C8 | C9 | H33 | 178.4° | 179.9° |
| C8 | C7 | C12 | H35 | 179.4° | 180.0° |
| N | C3 | C2 | C1 | 43.1° | 37.0° |
| N | C3 | C2 | H21 | 118.8° | 118.3° |
| N | C3 | C2 | H22 | 118.8° | 118.5° |
| N | C3 | C2 | N3 | 162.0° | 155.4° |
| N | C3 | C2 | H20 | 72.0° | 81.5° |
| N | C3 | H21 | H22 | 123.5° | 123.4° |
| C3 | N | C4 | H23 | 71.6° | 68.0° |
| C3 | N | C | H39 | 101.2° | 91.3° |
| C10 | C9 | C8 | H33 | 180.0° | 179.6° |
| C9 | C10 | C11 | H1 | 178.9° | 180.0° |
| C10 | C9 | C8 | H32 | 178.4° | 179.8° |
| C1 | C2 | C3 | N3 | 119.0° | 118.4° |
| C1 | C2 | C3 | H20 | 115.0° | 118.4° |
| C1 | C2 | N3 | H20 | 119.4° | 123.1° |
| C2 | C1 | H18 | H19 | 122.3° | 122.2° |
| C1 | C2 | C3 | H21 | 75.7° | 155.3° |
| C1 | C2 | C3 | H22 | 161.9° | 81.5° |
| C1 | C2 | N3 | H29 | 180.0° | 180.0° |
| C1 | C2 | N3 | H30 | 60.0° | 56.1° |
| C2 | C1 | C | H39 | 129.3° | 115.4° |
| C8 | C9 | C10 | H34 | 179.9° | 179.5° |
| C3 | C2 | N3 | H20 | 125.6° | 123.3° |
| C3 | C2 | C1 | H18 | 152.1° | 98.5° |
| C3 | C2 | C1 | H19 | 86.3° | 139.3° |
| C2 | C3 | H21 | H22 | 123.5° | 123.3° |
| C3 | C2 | N3 | H29 | 65.0° | 66.4° |
| C3 | C2 | N3 | H30 | 175.0° | 169.7° |
| N3 | C2 | C1 | H18 | 83.0° | 19.9° |
| N3 | C2 | C1 | H19 | 38.6° | 102.3° |
| N3 | C2 | C3 | H21 | 43.2° | 86.3° |
| N3 | C2 | C3 | H22 | 79.2° | 36.9° |
| C2 | N3 | H29 | H30 | 120.0° | 123.9° |
| H1 | C11 | C10 | H34 | 1.1° | 0.1° |
| H1 | C11 | C12 | H35 | 0.8° | 0.3° |
| H2 | C13 | C14 | H4 | 78.1° | 33.7° |
| H2 | C13 | C14 | H5 | 41.3° | 86.3° |
| H2 | C13 | C4 | H23 | 59.9° | 65.4° |
| H3 | C13 | C14 | H4 | 163.7° | 85.8° |
| H3 | C13 | C14 | H5 | 76.9° | 154.2° |
| H3 | C13 | C4 | H23 | 178.1° | 175.0° |
| H6 | C16 | C17 | H7 | 78.1° | 173.6° |
| H6 | C16 | C17 | H8 | 163.5° | 66.3° |
| H7 | C17 | C18 | H9 | 179.2° | 66.5° |
| H8 | C17 | C18 | H9 | 62.4° | 173.4° |
| H9 | C18 | C19 | H10 | 62.5° | 60.0° |
| H9 | C18 | C19 | H11 | 177.5° | 60.0° |
| H9 | C18 | C19 | H12 | 57.5° | 180.0° |
| H9 | C18 | C20 | H36 | 62.4° | 54.7° |
| H9 | C18 | C20 | H37 | 57.6° | 65.3° |
| H9 | C18 | C20 | H38 | 177.5° | 174.7° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H13 | C22 | N2 | H28 | 20.2° | 120.0° |
| H14 | C22 | N2 | H28 | 139.5° | 120.0° |
| H15 | C24 | C25 | H16 | 0.5° | 0.0° |
| H18 | C1 | C2 | H20 | 37.0° | 142.9° |
| H18 | C1 | C | H39 | 111.5° | 3.5° |
| H19 | C1 | C2 | H20 | 158.5° | 20.8° |
| H19 | C1 | C | H39 | 10.1° | 125.6° |
| H20 | C2 | C3 | H21 | 169.2° | 36.8° |
| H20 | C2 | C3 | H22 | 46.8° | 160.1° |
| H20 | C2 | N3 | H29 | 60.6° | 56.9° |
| H20 | C2 | N3 | H30 | 59.4° | 67.0° |
| H23 | C4 | C5 | H24 | 78.1° | 58.9° |
| H23 | C4 | C5 | H25 | 164.1° | 61.1° |
| H24 | C5 | C6 | H26 | 175.1° | 175.7° |
| H24 | C5 | C6 | H27 | 56.8° | 55.7° |
| H25 | C5 | C6 | H26 | 57.3° | 64.4° |
| H25 | C5 | C6 | H27 | 61.0° | 175.6° |
| H32 | C8 | C9 | H33 | 1.6° | 0.2° |
| H33 | C9 | C10 | H34 | 0.1° | 0.1° |
| H36 | C20 | H37 | H38 | 120.0° | 120.0° |
