KP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N1 | sing | 1.40Å | 1.41Å | |
| O | C14 | doub | 1.22Å | 1.22Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| N1 | C14 | sing | 1.35Å | 1.36Å | |
| C14 | N | sing | 1.35Å | 1.42Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C4 | sing | 1.40Å | 1.42Å | |
| N | C6 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C13 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N2 | C19 | 117.4° | 121.8° |
| N2 | C18 | C17 | 123.4° | 120.9° |
| N2 | C18 | H16 | 118.3° | 119.5° |
| N2 | C19 | C15 | 123.5° | 120.7° |
| N2 | C19 | H23 | 118.2° | 119.7° |
| C18 | C17 | C16 | 118.5° | 119.3° |
| C18 | C17 | H12 | 120.7° | 120.4° |
| C17 | C18 | H16 | 118.3° | 119.6° |
| C19 | C15 | C16 | 117.8° | 119.0° |
| C19 | C15 | N1 | 120.0° | 120.5° |
| C15 | C19 | H23 | 118.2° | 119.7° |
| C17 | C16 | C15 | 119.3° | 118.4° |
| C16 | C17 | H12 | 120.8° | 120.4° |
| C17 | C16 | H18 | 120.3° | 120.9° |
| C16 | C15 | N1 | 122.0° | 120.5° |
| C15 | C16 | H18 | 120.3° | 120.8° |
| C15 | N1 | C14 | 123.4° | 120.0° |
| C15 | N1 | H1 | 118.3° | 120.0° |
| O | C14 | N1 | 123.5° | 120.0° |
| O | C14 | N | 120.0° | 119.9° |
| CL | C | C5 | 118.8° | 120.0° |
| CL | C | C1 | 119.2° | 120.0° |
| N1 | C14 | N | 116.5° | 120.0° |
| C14 | N1 | H1 | 118.3° | 120.0° |
| C14 | N | C4 | 122.0° | 120.0° |
| C14 | N | C6 | 120.2° | 120.0° |
| C | C5 | C4 | 118.7° | 119.9° |
| C5 | C | C1 | 122.0° | 120.0° |
| C | C5 | H2 | 120.6° | 120.0° |
| C5 | C4 | N | 119.8° | 120.1° |
| C5 | C4 | C3 | 120.1° | 119.9° |
| C4 | C5 | H2 | 120.6° | 120.0° |
| C | C1 | C2 | 118.8° | 120.2° |
| C | C1 | H15 | 120.6° | 119.9° |
| C4 | N | C6 | 117.4° | 120.0° |
| N | C4 | C3 | 119.5° | 120.1° |
| N | C6 | C7 | 112.9° | 109.4° |
| N | C6 | H3 | 108.6° | 109.4° |
| N | C6 | H4 | 108.6° | 109.5° |
| C4 | C3 | C2 | 119.7° | 120.0° |
| C4 | C3 | H24 | 120.2° | 120.0° |
| C1 | C2 | C3 | 120.6° | 120.1° |
| C2 | C1 | H15 | 120.6° | 119.9° |
| C1 | C2 | H17 | 119.7° | 120.0° |
| C6 | C7 | C8 | 113.4° | 109.5° |
| C7 | C6 | H3 | 108.6° | 109.5° |
| C7 | C6 | H4 | 108.6° | 109.5° |
| C6 | C7 | H5 | 108.5° | 109.5° |
| C6 | C7 | H6 | 108.5° | 109.5° |
| C7 | C8 | C9 | 111.5° | 109.5° |
| C7 | C8 | C13 | 112.2° | 109.5° |
| C8 | C7 | H5 | 108.5° | 109.4° |
| C8 | C7 | H6 | 108.5° | 109.5° |
| C7 | C8 | H7 | 107.8° | 109.5° |
| C3 | C2 | H17 | 119.7° | 120.0° |
| C2 | C3 | H24 | 120.2° | 120.0° |
| C9 | C8 | C13 | 109.4° | 109.5° |
| C8 | C9 | C10 | 112.7° | 109.5° |
| C9 | C8 | H7 | 107.9° | 109.4° |
| C8 | C9 | H19 | 108.7° | 109.4° |
| C8 | C9 | H20 | 108.7° | 109.5° |
| C8 | C13 | C12 | 112.5° | 109.5° |
| C13 | C8 | H7 | 107.9° | 109.5° |
| C8 | C13 | H10 | 108.7° | 109.4° |
| C8 | C13 | H11 | 108.7° | 109.4° |
| C9 | C10 | C11 | 111.5° | 109.5° |
| C9 | C10 | H8 | 109.0° | 109.5° |
| C9 | C10 | H9 | 109.0° | 109.5° |
| C10 | C9 | H19 | 108.7° | 109.5° |
| C10 | C9 | H20 | 108.7° | 109.5° |
| C13 | C12 | C11 | 111.6° | 109.5° |
| C12 | C13 | H10 | 108.7° | 109.5° |
| C12 | C13 | H11 | 108.7° | 109.5° |
| C13 | C12 | H21 | 108.9° | 109.4° |
| C13 | C12 | H22 | 108.9° | 109.5° |
| C10 | C11 | C12 | 110.9° | 109.5° |
| C11 | C10 | H8 | 108.9° | 109.4° |
| C11 | C10 | H9 | 108.9° | 109.5° |
| C10 | C11 | H13 | 109.1° | 109.4° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| C12 | C11 | H13 | 109.1° | 109.5° |
| C12 | C11 | H14 | 109.1° | 109.5° |
| C11 | C12 | H21 | 108.9° | 109.5° |
| C11 | C12 | H22 | 109.0° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H19 | C9 | H20 | 109.4° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C18 | C17 | H16 | 180.0° | 179.2° |
| C18 | N2 | C19 | C15 | 1.0° | 0.6° |
| N2 | C18 | C17 | C16 | 0.5° | 0.5° |
| N2 | C18 | C17 | H12 | 179.5° | 179.4° |
| C18 | N2 | C19 | H23 | 179.0° | 179.4° |
| C19 | N2 | C18 | C17 | 0.1° | 0.8° |
| N2 | C19 | C15 | H23 | 180.0° | 180.0° |
| N2 | C19 | C15 | C16 | 1.7° | 0.0° |
| N2 | C19 | C15 | N1 | 173.1° | 179.7° |
| C19 | N2 | C18 | H16 | 179.9° | 180.0° |
| C18 | C17 | C16 | H12 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H18 | 179.8° | 180.0° |
| C19 | C15 | C16 | C17 | 1.2° | 0.2° |
| C19 | C15 | C16 | N1 | 174.7° | 179.8° |
| C19 | C15 | N1 | C14 | 62.2° | 27.1° |
| C19 | C15 | N1 | H1 | 117.8° | 153.2° |
| C19 | C15 | C16 | H18 | 178.8° | 179.7° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | N1 | 173.5° | 180.0° |
| C16 | C17 | C18 | H16 | 179.5° | 179.7° |
| C16 | C15 | N1 | C14 | 112.4° | 152.6° |
| C16 | C15 | N1 | H1 | 67.6° | 27.0° |
| C15 | C16 | C17 | H12 | 179.8° | 180.0° |
| C16 | C15 | C19 | H23 | 178.3° | 180.0° |
| C15 | N1 | C14 | O | 0.2° | 9.4° |
| C15 | N1 | C14 | H1 | 180.0° | 179.7° |
| C15 | N1 | C14 | N | 179.1° | 170.6° |
| N1 | C15 | C16 | H18 | 6.5° | 0.0° |
| N1 | C15 | C19 | H23 | 6.9° | 0.3° |
| O | C14 | N1 | N | 178.9° | 180.0° |
| O | C14 | N | C4 | 13.6° | 3.7° |
| O | C14 | N | C6 | 159.0° | 176.3° |
| O | C14 | N1 | H1 | 179.8° | 170.9° |
| CL | C | C5 | C1 | 179.0° | 180.0° |
| CL | C | C5 | C4 | 177.9° | 180.0° |
| CL | C | C1 | C2 | 179.6° | 179.9° |
| CL | C | C5 | H2 | 2.1° | 0.1° |
| CL | C | C1 | H15 | 0.4° | 0.0° |
| N1 | C14 | N | C4 | 167.5° | 176.3° |
| N1 | C14 | N | C6 | 20.0° | 3.7° |
| C14 | N | C4 | C5 | 74.2° | 69.4° |
| C14 | N | C4 | C6 | 172.7° | 180.0° |
| C14 | N | C4 | C3 | 97.4° | 110.4° |
| C14 | N | C6 | C7 | 124.5° | 90.0° |
| N | C14 | N1 | H1 | 0.9° | 9.1° |
| C14 | N | C6 | H3 | 115.0° | 150.0° |
| C14 | N | C6 | H4 | 4.0° | 30.0° |
| C | C5 | C4 | H2 | 180.0° | 179.9° |
| C | C5 | C4 | N | 168.1° | 179.7° |
| C | C5 | C4 | C3 | 3.4° | 0.0° |
| C5 | C | C1 | C2 | 1.4° | 0.1° |
| C5 | C | C1 | H15 | 178.5° | 180.0° |
| C4 | C5 | C | C1 | 1.1° | 0.0° |
| C5 | C4 | N | C3 | 171.6° | 179.7° |
| C5 | C4 | N | C6 | 113.1° | 110.6° |
| C5 | C4 | C3 | C2 | 3.3° | 0.0° |
| C5 | C4 | C3 | H24 | 176.7° | 180.0° |
| C | C1 | C2 | H15 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 1.6° | 0.1° |
| C1 | C | C5 | H2 | 178.9° | 179.9° |
| C | C1 | C2 | H17 | 178.4° | 180.0° |
| C4 | N | C6 | C7 | 62.7° | 90.0° |
| N | C4 | C3 | C2 | 168.3° | 179.7° |
| N | C4 | C5 | H2 | 11.9° | 0.2° |
| C4 | N | C6 | H3 | 57.8° | 30.0° |
| C4 | N | C6 | H4 | 176.8° | 150.0° |
| N | C4 | C3 | H24 | 11.7° | 0.3° |
| C6 | N | C4 | C3 | 75.3° | 69.6° |
| N | C6 | C7 | H3 | 120.5° | 120.0° |
| N | C6 | C7 | H4 | 120.5° | 120.0° |
| N | C6 | C7 | C8 | 144.0° | 180.0° |
| N | C6 | H3 | H4 | 118.4° | 120.0° |
| N | C6 | C7 | H5 | 95.4° | 60.0° |
| N | C6 | C7 | H6 | 23.5° | 60.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C4 | C3 | C2 | H24 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 176.6° | 180.0° |
| C4 | C3 | C2 | H17 | 179.3° | 180.0° |
| C1 | C2 | C3 | H17 | 180.0° | 180.0° |
| C1 | C2 | C3 | H24 | 179.3° | 180.0° |
| C6 | C7 | C8 | H5 | 120.6° | 120.0° |
| C6 | C7 | C8 | H6 | 120.5° | 120.0° |
| C6 | C7 | C8 | C9 | 179.6° | 175.0° |
| C6 | C7 | C8 | C13 | 57.3° | 65.0° |
| C7 | C6 | H3 | H4 | 118.4° | 120.0° |
| C6 | C7 | H5 | H6 | 118.2° | 120.0° |
| C6 | C7 | C8 | H7 | 61.3° | 55.0° |
| C7 | C8 | C9 | C13 | 124.7° | 120.1° |
| C7 | C8 | C9 | H7 | 118.2° | 120.0° |
| C7 | C8 | C13 | H7 | 118.6° | 120.0° |
| C7 | C8 | C9 | C10 | 179.0° | 180.0° |
| C7 | C8 | C13 | C12 | 178.7° | 180.0° |
| C8 | C7 | C6 | H3 | 23.5° | 60.0° |
| C8 | C7 | C6 | H4 | 95.5° | 60.1° |
| C8 | C7 | H5 | H6 | 118.2° | 120.0° |
| C7 | C8 | C13 | H10 | 60.9° | 60.0° |
| C7 | C8 | C13 | H11 | 58.3° | 60.0° |
| C7 | C8 | C9 | H19 | 58.6° | 60.0° |
| C7 | C8 | C9 | H20 | 60.4° | 60.0° |
| C3 | C2 | C1 | H15 | 178.4° | 180.0° |
| C9 | C8 | C13 | H7 | 117.1° | 119.9° |
| C8 | C9 | C10 | H19 | 120.5° | 119.9° |
| C8 | C9 | C10 | H20 | 120.5° | 120.0° |
| C9 | C8 | C13 | C12 | 54.5° | 60.0° |
| C8 | C9 | C10 | C11 | 55.5° | 59.9° |
| C9 | C8 | C7 | H5 | 59.8° | 65.1° |
| C9 | C8 | C7 | H6 | 59.1° | 54.9° |
| C8 | C9 | C10 | H8 | 175.8° | 60.0° |
| C8 | C9 | C10 | H9 | 64.8° | 180.0° |
| C9 | C8 | C13 | H10 | 174.9° | 179.9° |
| C9 | C8 | C13 | H11 | 66.0° | 60.1° |
| C8 | C9 | H19 | H20 | 118.5° | 120.0° |
| C13 | C8 | C9 | C10 | 54.4° | 59.9° |
| C8 | C13 | C12 | H10 | 120.5° | 120.0° |
| C8 | C13 | C12 | H11 | 120.5° | 120.0° |
| C8 | C13 | C12 | C11 | 55.8° | 60.0° |
| C13 | C8 | C7 | H5 | 63.3° | 55.0° |
| C13 | C8 | C7 | H6 | 177.9° | 175.0° |
| C8 | C13 | H10 | H11 | 118.6° | 120.0° |
| C13 | C8 | C9 | H19 | 66.1° | 60.0° |
| C13 | C8 | C9 | H20 | 174.9° | 180.0° |
| C8 | C13 | C12 | H21 | 64.5° | 60.0° |
| C8 | C13 | C12 | H22 | 176.1° | 180.0° |
| C9 | C10 | C11 | H8 | 120.3° | 120.0° |
| C9 | C10 | C11 | H9 | 120.3° | 120.1° |
| C9 | C10 | C11 | C12 | 54.6° | 60.0° |
| C10 | C9 | C8 | H7 | 62.7° | 60.0° |
| C9 | C10 | H8 | H9 | 119.1° | 120.0° |
| C9 | C10 | C11 | H13 | 65.7° | 60.0° |
| C9 | C10 | C11 | H14 | 174.7° | 180.0° |
| C10 | C9 | H19 | H20 | 118.5° | 120.0° |
| C13 | C12 | C11 | C10 | 54.8° | 60.0° |
| C13 | C12 | C11 | H21 | 120.3° | 120.0° |
| C13 | C12 | C11 | H22 | 120.3° | 120.0° |
| C12 | C13 | C8 | H7 | 62.7° | 60.0° |
| C12 | C13 | H10 | H11 | 118.6° | 120.1° |
| C13 | C12 | C11 | H13 | 65.4° | 60.0° |
| C13 | C12 | C11 | H14 | 175.0° | 180.0° |
| C13 | C12 | H21 | H22 | 119.0° | 120.0° |
| C10 | C11 | C12 | H13 | 120.2° | 120.0° |
| C10 | C11 | C12 | H14 | 120.2° | 120.0° |
| C11 | C10 | H8 | H9 | 119.0° | 120.0° |
| C10 | C11 | H13 | H14 | 119.4° | 120.0° |
| C11 | C10 | C9 | H19 | 65.0° | 60.0° |
| C11 | C10 | C9 | H20 | 176.0° | 180.0° |
| C10 | C11 | C12 | H21 | 65.5° | 60.0° |
| C10 | C11 | C12 | H22 | 175.1° | 180.0° |
| C12 | C11 | C10 | H8 | 174.9° | 60.0° |
| C12 | C11 | C10 | H9 | 65.7° | 180.0° |
| C11 | C12 | C13 | H10 | 176.2° | 180.0° |
| C11 | C12 | C13 | H11 | 64.7° | 60.0° |
| C12 | C11 | H13 | H14 | 119.4° | 120.0° |
| C11 | C12 | H21 | H22 | 119.1° | 120.0° |
| H3 | C6 | C7 | H5 | 144.1° | 59.9° |
| H3 | C6 | C7 | H6 | 97.1° | 179.9° |
| H4 | C6 | C7 | H5 | 25.1° | 180.0° |
| H4 | C6 | C7 | H6 | 144.0° | 60.0° |
| H5 | C7 | C8 | H7 | 178.1° | 175.0° |
| H6 | C7 | C8 | H7 | 59.2° | 65.0° |
| H7 | C8 | C13 | H10 | 57.8° | 60.0° |
| H7 | C8 | C13 | H11 | 176.9° | 180.0° |
| H7 | C8 | C9 | H19 | 176.8° | NaN° |
| H7 | C8 | C9 | H20 | 57.8° | 60.0° |
| H8 | C10 | C11 | H13 | 54.7° | 180.0° |
| H8 | C10 | C11 | H14 | 64.9° | 60.0° |
| H8 | C10 | C9 | H19 | 55.3° | 180.0° |
| H8 | C10 | C9 | H20 | 63.7° | 60.0° |
| H9 | C10 | C11 | H13 | 174.0° | 60.0° |
| H9 | C10 | C11 | H14 | 54.4° | 59.9° |
| H9 | C10 | C9 | H19 | 174.7° | 60.0° |
| H9 | C10 | C9 | H20 | 55.7° | 60.0° |
| H10 | C13 | C12 | H21 | 55.9° | 60.0° |
| H10 | C13 | C12 | H22 | 63.4° | 60.0° |
| H11 | C13 | C12 | H21 | 175.0° | 179.9° |
| H11 | C13 | C12 | H22 | 55.6° | 60.1° |
| H12 | C17 | C18 | H16 | 0.5° | 0.2° |
| H12 | C17 | C16 | H18 | 0.2° | 0.0° |
| H13 | C11 | C12 | H21 | 174.3° | 180.0° |
| H13 | C11 | C12 | H22 | 54.9° | 60.0° |
| H14 | C11 | C12 | H21 | 54.7° | 60.0° |
| H14 | C11 | C12 | H22 | 64.7° | 60.0° |
| H15 | C1 | C2 | H17 | 1.6° | 0.0° |
| H17 | C2 | C3 | H24 | 0.7° | 0.0° |
