QPC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | N4 | sing | 1.46Å | 1.45Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C18 | sing | 1.35Å | 1.38Å | |
| C10 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C5 | C2 | sing | 1.48Å | 1.48Å | |
| C17 | C14 | sing | 1.51Å | 1.49Å | |
| C2 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | N3 | sing | 1.40Å | 1.43Å | |
| C1 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.38Å | 1.42Å | |
| C3 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C19 | sing | 1.47Å | 1.49Å | |
| C19 | N5 | sing | 1.35Å | 1.37Å | |
| C19 | O2 | doub | 1.22Å | 1.22Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C21 | C22 | 108.5° | 109.5° |
| C24 | C21 | C23 | 107.8° | 109.5° |
| C24 | C21 | C20 | 108.6° | 109.5° |
| C21 | C24 | H25 | 109.5° | 109.5° |
| C21 | C24 | H26 | 109.5° | 109.5° |
| C21 | C24 | H27 | 109.5° | 109.5° |
| C22 | C21 | C23 | 108.4° | 109.5° |
| C22 | C21 | C20 | 112.0° | 109.4° |
| C21 | C22 | H19 | 109.5° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.4° |
| C21 | C22 | H21 | 109.4° | 109.5° |
| C23 | C21 | C20 | 111.5° | 109.5° |
| C21 | C23 | H22 | 109.5° | 109.4° |
| C21 | C23 | H23 | 109.5° | 109.5° |
| C21 | C23 | H24 | 109.5° | 109.4° |
| C21 | C20 | N4 | 115.2° | 109.5° |
| C21 | C20 | H17 | 108.0° | 109.4° |
| C21 | C20 | H18 | 108.0° | 109.4° |
| C9 | C8 | C7 | 118.5° | 120.2° |
| C8 | C9 | C10 | 120.4° | 120.1° |
| C9 | C8 | H4 | 120.7° | 119.8° |
| C8 | C9 | H5 | 119.8° | 119.9° |
| C8 | C7 | C6 | 120.1° | 120.2° |
| C8 | C7 | H3 | 120.0° | 119.9° |
| C7 | C8 | H4 | 120.8° | 119.9° |
| C20 | N4 | C18 | 122.0° | 120.0° |
| C20 | N4 | H14 | 119.0° | 120.1° |
| N4 | C20 | H17 | 108.0° | 109.5° |
| N4 | C20 | H18 | 108.0° | 109.5° |
| C9 | C10 | C5 | 122.3° | 119.9° |
| C10 | C9 | H5 | 119.8° | 120.0° |
| C9 | C10 | H6 | 118.8° | 120.0° |
| C7 | C6 | C5 | 122.9° | 119.9° |
| C7 | C6 | H2 | 118.5° | 120.1° |
| C6 | C7 | H3 | 120.0° | 119.9° |
| N4 | C18 | O1 | 125.0° | 120.0° |
| N4 | C18 | C17 | 113.9° | 120.0° |
| C18 | N4 | H14 | 119.0° | 119.9° |
| C10 | C5 | C6 | 115.7° | 119.7° |
| C10 | C5 | C2 | 122.5° | 120.1° |
| C5 | C10 | H6 | 118.8° | 120.1° |
| C6 | C5 | C2 | 121.8° | 120.2° |
| C5 | C6 | H2 | 118.5° | 120.0° |
| O1 | C18 | C17 | 121.1° | 120.0° |
| C18 | C17 | C14 | 114.3° | 109.5° |
| C18 | C17 | H12 | 108.2° | 109.5° |
| C18 | C17 | H13 | 108.2° | 109.5° |
| C5 | C2 | N1 | 119.1° | 118.9° |
| C5 | C2 | N2 | 117.3° | 119.0° |
| C17 | C14 | C15 | 118.0° | 119.9° |
| C17 | C14 | C13 | 123.4° | 120.0° |
| C14 | C17 | H12 | 108.2° | 109.5° |
| C14 | C17 | H13 | 108.2° | 109.4° |
| N1 | C2 | N2 | 123.7° | 122.1° |
| C2 | N1 | C1 | 116.3° | 121.1° |
| C2 | N2 | C3 | 119.8° | 120.7° |
| C14 | C15 | C16 | 121.1° | 120.1° |
| C15 | C14 | C13 | 118.6° | 120.1° |
| C14 | C15 | H10 | 119.5° | 120.0° |
| C15 | C16 | C11 | 121.4° | 119.9° |
| C16 | C15 | H10 | 119.4° | 120.0° |
| C15 | C16 | H11 | 119.3° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C14 | C13 | H9 | 120.2° | 119.9° |
| N1 | C1 | C4 | 123.5° | 119.1° |
| N1 | C1 | H1 | 118.2° | 120.5° |
| N2 | C3 | N3 | 118.6° | 120.6° |
| N2 | C3 | C4 | 120.0° | 118.8° |
| C16 | C11 | C12 | 117.0° | 119.9° |
| C16 | C11 | N3 | 121.8° | 120.1° |
| C11 | C16 | H11 | 119.3° | 120.0° |
| C13 | C12 | C11 | 122.3° | 119.9° |
| C13 | C12 | H8 | 118.8° | 120.0° |
| C12 | C13 | H9 | 120.1° | 119.9° |
| C12 | C11 | N3 | 121.2° | 120.1° |
| C11 | C12 | H8 | 118.9° | 120.1° |
| C11 | N3 | C3 | 122.9° | 120.0° |
| C11 | N3 | H7 | 118.5° | 120.0° |
| C1 | C4 | C3 | 116.6° | 118.2° |
| C1 | C4 | C19 | 119.7° | 120.9° |
| C4 | C1 | H1 | 118.3° | 120.4° |
| N3 | C3 | C4 | 121.4° | 120.6° |
| C3 | N3 | H7 | 118.6° | 120.0° |
| C3 | C4 | C19 | 123.6° | 120.9° |
| C4 | C19 | N5 | 115.6° | 120.0° |
| C4 | C19 | O2 | 121.1° | 120.0° |
| N5 | C19 | O2 | 123.3° | 120.0° |
| C19 | N5 | H15 | 120.0° | 120.0° |
| C19 | N5 | H16 | 120.0° | 120.0° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H15 | N5 | H16 | 120.0° | 120.0° |
| H17 | C20 | H18 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.4° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.4° |
| H25 | C24 | H27 | 109.4° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C21 | C22 | C23 | 116.8° | 120.0° |
| C24 | C21 | C22 | C20 | 119.8° | 120.0° |
| C24 | C21 | C23 | C20 | 119.0° | 120.0° |
| C24 | C21 | C20 | N4 | 177.5° | 180.0° |
| C24 | C21 | C20 | H17 | 56.6° | 60.0° |
| C24 | C21 | C20 | H18 | 61.7° | 59.9° |
| C24 | C21 | C22 | H19 | 180.0° | 60.0° |
| C24 | C21 | C22 | H20 | 60.0° | 60.0° |
| C24 | C21 | C22 | H21 | 60.0° | 180.0° |
| C24 | C21 | C23 | H22 | 180.0° | 60.0° |
| C24 | C21 | C23 | H23 | 60.0° | 60.0° |
| C24 | C21 | C23 | H24 | 60.0° | 180.0° |
| C21 | C24 | H25 | H26 | 120.0° | 120.0° |
| C21 | C24 | H25 | H27 | 120.0° | 120.0° |
| C21 | C24 | H26 | H27 | 120.0° | 120.0° |
| C22 | C21 | C23 | C20 | 123.7° | 120.0° |
| C22 | C21 | C20 | N4 | 57.7° | 60.0° |
| C22 | C21 | C20 | H17 | 63.1° | 180.0° |
| C22 | C21 | C20 | H18 | 178.5° | 60.1° |
| C21 | C22 | H19 | H20 | 120.0° | 120.0° |
| C21 | C22 | H19 | H21 | 120.0° | 120.0° |
| C21 | C22 | H20 | H21 | 120.0° | 120.0° |
| C22 | C21 | C23 | H22 | 62.8° | 180.0° |
| C22 | C21 | C23 | H23 | 177.2° | 60.0° |
| C22 | C21 | C23 | H24 | 57.3° | 59.9° |
| C22 | C21 | C24 | H25 | 180.0° | 180.0° |
| C22 | C21 | C24 | H26 | 60.0° | 60.0° |
| C22 | C21 | C24 | H27 | 60.0° | 60.0° |
| C23 | C21 | C20 | N4 | 63.9° | 60.0° |
| C23 | C21 | C20 | H17 | 175.2° | 60.0° |
| C23 | C21 | C20 | H18 | 56.9° | 180.0° |
| C23 | C21 | C22 | H19 | 63.2° | 60.0° |
| C23 | C21 | C22 | H20 | 56.8° | 180.0° |
| C23 | C21 | C22 | H21 | 176.8° | 60.0° |
| C21 | C23 | H22 | H23 | 120.0° | 120.0° |
| C21 | C23 | H22 | H24 | 120.0° | 120.0° |
| C21 | C23 | H23 | H24 | 120.0° | 120.0° |
| C23 | C21 | C24 | H25 | 62.8° | 60.0° |
| C23 | C21 | C24 | H26 | 177.2° | 180.0° |
| C23 | C21 | C24 | H27 | 57.2° | 60.0° |
| C21 | C20 | N4 | H17 | 120.9° | 119.9° |
| C21 | C20 | N4 | H18 | 120.8° | 120.0° |
| C21 | C20 | N4 | C18 | 129.2° | 180.0° |
| C21 | C20 | N4 | H14 | 50.8° | 0.0° |
| C21 | C20 | H17 | H18 | 117.4° | 119.9° |
| C20 | C21 | C22 | H19 | 60.2° | 180.0° |
| C20 | C21 | C22 | H20 | 179.8° | 60.0° |
| C20 | C21 | C22 | H21 | 59.8° | 60.0° |
| C20 | C21 | C23 | H22 | 61.0° | 60.0° |
| C20 | C21 | C23 | H23 | 59.0° | 180.0° |
| C20 | C21 | C23 | H24 | 179.0° | 60.0° |
| C20 | C21 | C24 | H25 | 58.1° | 60.0° |
| C20 | C21 | C24 | H26 | 61.9° | 60.0° |
| C20 | C21 | C24 | H27 | 178.0° | 180.0° |
| C9 | C8 | C7 | H4 | 180.0° | 179.8° |
| C8 | C9 | C10 | H5 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | C10 | C5 | 0.2° | 0.5° |
| C9 | C8 | C7 | H3 | 179.8° | 180.0° |
| C8 | C9 | C10 | H6 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | H2 | 179.7° | 180.0° |
| C7 | C8 | C9 | H5 | 179.9° | 180.0° |
| C20 | N4 | C18 | H14 | 180.0° | 180.0° |
| C20 | N4 | C18 | O1 | 10.2° | 0.1° |
| C20 | N4 | C18 | C17 | 169.5° | 180.0° |
| N4 | C20 | H17 | H18 | 117.4° | 120.1° |
| C9 | C10 | C5 | H6 | 180.0° | 179.4° |
| C9 | C10 | C5 | C6 | 0.1° | 0.5° |
| C9 | C10 | C5 | C2 | 179.9° | 179.8° |
| C10 | C9 | C8 | H4 | 179.9° | 180.0° |
| C7 | C6 | C5 | C10 | 0.2° | 0.3° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C2 | 179.8° | 180.0° |
| C6 | C7 | C8 | H4 | 179.8° | 179.7° |
| N4 | C18 | O1 | C17 | 179.7° | 179.9° |
| N4 | C18 | C17 | C14 | 39.1° | 180.0° |
| N4 | C18 | C17 | H12 | 81.6° | 60.0° |
| N4 | C18 | C17 | H13 | 159.8° | 60.0° |
| C18 | N4 | C20 | H17 | 8.3° | 60.1° |
| C18 | N4 | C20 | H18 | 110.0° | 60.0° |
| C10 | C5 | C6 | C2 | 180.0° | 179.7° |
| C10 | C5 | C2 | N1 | 165.8° | 179.7° |
| C10 | C5 | C2 | N2 | 14.8° | 0.3° |
| C10 | C5 | C6 | H2 | 179.8° | 179.7° |
| C5 | C10 | C9 | H5 | 179.8° | 179.7° |
| C6 | C5 | C2 | N1 | 14.2° | 0.0° |
| C6 | C5 | C2 | N2 | 165.2° | 180.0° |
| C5 | C6 | C7 | H3 | 179.7° | 180.0° |
| C6 | C5 | C10 | H6 | 179.9° | 180.0° |
| O1 | C18 | C17 | C14 | 141.2° | 0.0° |
| O1 | C18 | C17 | H12 | 98.1° | 120.1° |
| O1 | C18 | C17 | H13 | 20.5° | 120.0° |
| O1 | C18 | N4 | H14 | 169.8° | 180.0° |
| C18 | C17 | C14 | H12 | 120.7° | 120.0° |
| C18 | C17 | C14 | H13 | 120.7° | 120.0° |
| C18 | C17 | C14 | C15 | 104.2° | 90.0° |
| C18 | C17 | C14 | C13 | 76.6° | 90.0° |
| C18 | C17 | H12 | H13 | 117.8° | 120.0° |
| C17 | C18 | N4 | H14 | 10.5° | 0.0° |
| C5 | C2 | N1 | N2 | 179.3° | 180.0° |
| C5 | C2 | N1 | C1 | 179.0° | 180.0° |
| C5 | C2 | N2 | C3 | 179.0° | 180.0° |
| C2 | C5 | C6 | H2 | 0.2° | 0.0° |
| C2 | C5 | C10 | H6 | 0.0° | 0.3° |
| C17 | C14 | C15 | C13 | 179.3° | 180.0° |
| C17 | C14 | C15 | C16 | 179.8° | 179.8° |
| C17 | C14 | C13 | C12 | 180.0° | 180.0° |
| C17 | C14 | C13 | H9 | 0.1° | 0.0° |
| C17 | C14 | C15 | H10 | 0.2° | 0.0° |
| C14 | C17 | H12 | H13 | 117.8° | 120.0° |
| N1 | C2 | N2 | C3 | 0.3° | 0.0° |
| C2 | N1 | C1 | C4 | 0.2° | 0.0° |
| C2 | N1 | C1 | H1 | 179.8° | 179.8° |
| N2 | C2 | N1 | C1 | 0.3° | 0.0° |
| C2 | N2 | C3 | N3 | 179.3° | 180.0° |
| C2 | N2 | C3 | C4 | 0.1° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.7° |
| C14 | C15 | C16 | C11 | 0.5° | 0.5° |
| C15 | C14 | C13 | C12 | 0.8° | 0.0° |
| C15 | C14 | C13 | H9 | 179.2° | 179.9° |
| C14 | C15 | C16 | H11 | 179.5° | 180.0° |
| C15 | C14 | C17 | H12 | 16.5° | 30.0° |
| C15 | C14 | C17 | H13 | 135.1° | 150.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.3° |
| C15 | C16 | C11 | H11 | 180.0° | 179.5° |
| C15 | C16 | C11 | C12 | 1.1° | 0.5° |
| C15 | C16 | C11 | N3 | 179.8° | 179.8° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | H8 | 179.8° | 180.0° |
| C13 | C14 | C15 | H10 | 179.5° | 180.0° |
| C13 | C14 | C17 | H12 | 162.8° | 149.9° |
| C13 | C14 | C17 | H13 | 44.2° | 30.0° |
| N1 | C1 | C4 | H1 | 180.0° | 179.8° |
| N1 | C1 | C4 | C3 | 0.0° | 0.0° |
| N1 | C1 | C4 | C19 | 179.3° | 179.7° |
| N2 | C3 | N3 | C11 | 15.6° | 10.9° |
| N2 | C3 | C4 | C1 | 0.0° | 0.0° |
| N2 | C3 | N3 | C4 | 179.4° | 180.0° |
| N2 | C3 | C4 | C19 | 179.3° | 179.7° |
| N2 | C3 | N3 | H7 | 164.4° | 169.0° |
| C16 | C11 | C12 | C13 | 0.8° | 0.3° |
| C16 | C11 | C12 | N3 | 179.1° | 179.7° |
| C16 | C11 | N3 | C3 | 52.3° | 26.4° |
| C16 | C11 | N3 | H7 | 127.7° | 153.5° |
| C16 | C11 | C12 | H8 | 179.2° | 179.7° |
| C11 | C16 | C15 | H10 | 179.5° | 179.7° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | N3 | 179.9° | 180.0° |
| C12 | C11 | N3 | C3 | 128.6° | 153.2° |
| C12 | C11 | N3 | H7 | 51.4° | 26.8° |
| C11 | C12 | C13 | H9 | 179.8° | 179.9° |
| C12 | C11 | C16 | H11 | 178.9° | 180.0° |
| C11 | N3 | C3 | H7 | 180.0° | 180.0° |
| C11 | N3 | C3 | C4 | 165.0° | 169.1° |
| N3 | C11 | C12 | H8 | 0.1° | 0.1° |
| N3 | C11 | C16 | H11 | 0.2° | 0.3° |
| C1 | C4 | C3 | N3 | 179.4° | 180.0° |
| C1 | C4 | C3 | C19 | 179.3° | 179.7° |
| C1 | C4 | C19 | N5 | 25.0° | 7.4° |
| C1 | C4 | C19 | O2 | 154.1° | 172.6° |
| N3 | C3 | C4 | C19 | 0.1° | 0.3° |
| C3 | C4 | C19 | N5 | 155.8° | 172.9° |
| C3 | C4 | C19 | O2 | 25.2° | 7.1° |
| C3 | C4 | C1 | H1 | 180.0° | 179.8° |
| C4 | C3 | N3 | H7 | 15.0° | 11.0° |
| C4 | C19 | N5 | O2 | 179.0° | 180.0° |
| C19 | C4 | C1 | H1 | 0.6° | 0.1° |
| C4 | C19 | N5 | H15 | 179.1° | 0.0° |
| C4 | C19 | N5 | H16 | 1.0° | 180.0° |
| C19 | N5 | H15 | H16 | 180.0° | 180.0° |
| O2 | C19 | N5 | H15 | 0.0° | 180.0° |
| O2 | C19 | N5 | H16 | 180.0° | 0.0° |
| H2 | C6 | C7 | H3 | 0.3° | 0.0° |
| H3 | C7 | C8 | H4 | 0.2° | 0.3° |
| H4 | C8 | C9 | H5 | 0.1° | 0.2° |
| H5 | C9 | C10 | H6 | 0.2° | 0.2° |
| H8 | C12 | C13 | H9 | 0.2° | 0.0° |
| H10 | C15 | C16 | H11 | 0.5° | 0.3° |
| H14 | N4 | C20 | H17 | 171.7° | 120.0° |
| H14 | N4 | C20 | H18 | 70.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C23 | H23 | H24 | 120.0° | 120.1° |
| H25 | C24 | H26 | H27 | 120.0° | 120.0° |
