PKC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.43Å | 1.41Å | |
| C2 | C10 | sing | 1.53Å | 1.52Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| N2 | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| N1 | C1 | C2 | 113.1° | 109.5° |
| N1 | C1 | C3 | 106.7° | 109.5° |
| N1 | C1 | H2 | 111.4° | 109.5° |
| C1 | N1 | H15 | 109.5° | 111.0° |
| H1 | N1 | H15 | 109.5° | 111.1° |
| C2 | C1 | C3 | 115.8° | 109.5° |
| C2 | C1 | H2 | 101.3° | 109.5° |
| C1 | C2 | O1 | 109.9° | 109.5° |
| C1 | C2 | C10 | 114.0° | 109.5° |
| C1 | C2 | H3 | 105.2° | 109.4° |
| C3 | C1 | H2 | 108.4° | 109.5° |
| C1 | C3 | C4 | 112.0° | 109.5° |
| C1 | C3 | H5 | 108.6° | 109.5° |
| C1 | C3 | H6 | 108.7° | 109.4° |
| O1 | C2 | C10 | 106.7° | 109.5° |
| O1 | C2 | H3 | 112.7° | 109.5° |
| C2 | O1 | H4 | 109.5° | 114.0° |
| C10 | C2 | H3 | 108.5° | 109.5° |
| C2 | C10 | H12 | 109.2° | 109.5° |
| C2 | C10 | H13 | 109.2° | 109.5° |
| C2 | C10 | N2 | 110.3° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C4 | C3 | H6 | 108.6° | 109.5° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C3 | C4 | C6 | 121.4° | 120.0° |
| H5 | C3 | H6 | 110.3° | 109.5° |
| C5 | C4 | C6 | 117.8° | 120.0° |
| C4 | C5 | C7 | 120.5° | 120.0° |
| C4 | C5 | H7 | 119.8° | 120.0° |
| C4 | C6 | C8 | 122.0° | 120.0° |
| C4 | C6 | H8 | 119.0° | 120.0° |
| C7 | C5 | H7 | 119.7° | 120.0° |
| C5 | C7 | C9 | 121.1° | 120.0° |
| C5 | C7 | H9 | 119.4° | 120.0° |
| C8 | C6 | H8 | 119.0° | 120.0° |
| C6 | C8 | C9 | 119.8° | 120.0° |
| C6 | C8 | H10 | 120.1° | 120.0° |
| C9 | C7 | H9 | 119.5° | 120.0° |
| C7 | C9 | C8 | 118.7° | 120.0° |
| C7 | C9 | H11 | 120.6° | 120.0° |
| C9 | C8 | H10 | 120.1° | 120.0° |
| C8 | C9 | H11 | 120.6° | 120.0° |
| H12 | C10 | H13 | 109.8° | 109.5° |
| H12 | C10 | N2 | 109.2° | 109.4° |
| H13 | C10 | N2 | 109.2° | 109.5° |
| C10 | N2 | H14 | 109.5° | 111.0° |
| C10 | N2 | H16 | 109.5° | 111.0° |
| H14 | N2 | H16 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H15 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 123.6° | 120.0° |
| N1 | C1 | C2 | H2 | 119.3° | 120.0° |
| N1 | C1 | C3 | H2 | 120.1° | 120.0° |
| N1 | C1 | C2 | O1 | 62.2° | 180.0° |
| N1 | C1 | C2 | C10 | 178.2° | 60.0° |
| N1 | C1 | C2 | H3 | 59.4° | 60.0° |
| N1 | C1 | C3 | C4 | 58.7° | 65.0° |
| N1 | C1 | C3 | H5 | 61.3° | 55.0° |
| N1 | C1 | C3 | H6 | 178.7° | 175.0° |
| H1 | N1 | C1 | C2 | 180.0° | 64.0° |
| H1 | N1 | C1 | C3 | 51.5° | 176.0° |
| H1 | N1 | C1 | H2 | 66.7° | 56.0° |
| C2 | C1 | C3 | H2 | 113.0° | 120.0° |
| C1 | C2 | O1 | C10 | 124.0° | 120.0° |
| C1 | C2 | O1 | H3 | 117.0° | 120.0° |
| C1 | C2 | C10 | H3 | 116.9° | 120.0° |
| C1 | C2 | O1 | H4 | 180.0° | 60.0° |
| C2 | C1 | C3 | C4 | 174.4° | 175.0° |
| C2 | C1 | C3 | H5 | 65.6° | 65.0° |
| C2 | C1 | C3 | H6 | 54.4° | 55.0° |
| C1 | C2 | C10 | H12 | 30.8° | 55.0° |
| C1 | C2 | C10 | H13 | 89.3° | 65.0° |
| C1 | C2 | C10 | N2 | 150.7° | 175.0° |
| C2 | C1 | N1 | H15 | 60.0° | 60.0° |
| C3 | C1 | C2 | O1 | 61.4° | 60.0° |
| C3 | C1 | C2 | C10 | 58.2° | 180.0° |
| C3 | C1 | C2 | H3 | 177.0° | 60.0° |
| C1 | C3 | C4 | H5 | 120.0° | 120.0° |
| C1 | C3 | C4 | H6 | 120.0° | 120.0° |
| C1 | C3 | H5 | H6 | 119.0° | 120.0° |
| C1 | C3 | C4 | C5 | 66.0° | 90.0° |
| C1 | C3 | C4 | C6 | 113.3° | 90.2° |
| C3 | C1 | N1 | H15 | 171.5° | 60.0° |
| H2 | C1 | C2 | O1 | 178.5° | 60.0° |
| H2 | C1 | C2 | C10 | 58.8° | 60.0° |
| H2 | C1 | C2 | H3 | 59.9° | 180.0° |
| H2 | C1 | C3 | C4 | 61.4° | 55.0° |
| H2 | C1 | C3 | H5 | 178.6° | 175.0° |
| H2 | C1 | C3 | H6 | 58.6° | 65.0° |
| H2 | C1 | N1 | H15 | 53.3° | 179.9° |
| O1 | C2 | C10 | H3 | 121.7° | 120.0° |
| O1 | C2 | C10 | H12 | 152.2° | 175.0° |
| O1 | C2 | C10 | H13 | 32.2° | 55.0° |
| O1 | C2 | C10 | N2 | 87.8° | 65.0° |
| C10 | C2 | O1 | H4 | 56.0° | 60.0° |
| C2 | C10 | H12 | H13 | 119.7° | 120.0° |
| C2 | C10 | H12 | N2 | 120.7° | 120.0° |
| C2 | C10 | H13 | N2 | 120.7° | 120.0° |
| C2 | C10 | N2 | H14 | 180.0° | 56.0° |
| C2 | C10 | N2 | H16 | 60.0° | 180.0° |
| H3 | C2 | O1 | H4 | 63.0° | 180.0° |
| H3 | C2 | C10 | H12 | 86.1° | 64.9° |
| H3 | C2 | C10 | H13 | 153.9° | 175.0° |
| H3 | C2 | C10 | N2 | 33.9° | 55.0° |
| C4 | C3 | H5 | H6 | 119.0° | 120.0° |
| C3 | C4 | C5 | C6 | 179.3° | 179.8° |
| C3 | C4 | C5 | C7 | 179.1° | 180.0° |
| C3 | C4 | C5 | H7 | 0.9° | 0.0° |
| C3 | C4 | C6 | C8 | 178.8° | 180.0° |
| C3 | C4 | C6 | H8 | 1.1° | 0.1° |
| H5 | C3 | C4 | C5 | 174.1° | 30.0° |
| H5 | C3 | C4 | C6 | 6.7° | 149.8° |
| H6 | C3 | C4 | C5 | 54.0° | 150.0° |
| H6 | C3 | C4 | C6 | 126.7° | 29.8° |
| C4 | C5 | C7 | H7 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 0.5° | 0.2° |
| C5 | C4 | C6 | H8 | 179.6° | 179.7° |
| C4 | C5 | C7 | C9 | 2.0° | 0.0° |
| C4 | C5 | C7 | H9 | 178.0° | 179.9° |
| C6 | C4 | C5 | C7 | 1.6° | 0.2° |
| C6 | C4 | C5 | H7 | 178.4° | 179.8° |
| C4 | C6 | C8 | H8 | 180.0° | 179.9° |
| C4 | C6 | C8 | C9 | 2.1° | 0.0° |
| C4 | C6 | C8 | H10 | 177.9° | 180.0° |
| C5 | C7 | C9 | H9 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 0.4° | 0.2° |
| C5 | C7 | C9 | H11 | 179.6° | 179.9° |
| H7 | C5 | C7 | C9 | 178.0° | 179.9° |
| H7 | C5 | C7 | H9 | 2.0° | 0.0° |
| C6 | C8 | C9 | C7 | 1.6° | 0.2° |
| C6 | C8 | C9 | H10 | 180.0° | 180.0° |
| C6 | C8 | C9 | H11 | 178.4° | 179.9° |
| H8 | C6 | C8 | C9 | 177.9° | 179.9° |
| H8 | C6 | C8 | H10 | 2.0° | 0.0° |
| C7 | C9 | C8 | H11 | 180.0° | 179.8° |
| C7 | C9 | C8 | H10 | 178.4° | 179.7° |
| H9 | C7 | C9 | C8 | 179.6° | 179.9° |
| H9 | C7 | C9 | H11 | 0.4° | 0.0° |
| H10 | C8 | C9 | H11 | 1.6° | 0.1° |
| H12 | C10 | H13 | N2 | 119.7° | 120.0° |
| H12 | C10 | N2 | H14 | 60.0° | 64.0° |
| H12 | C10 | N2 | H16 | 180.0° | 60.0° |
| H13 | C10 | N2 | H14 | 60.0° | 176.0° |
| H13 | C10 | N2 | H16 | 60.0° | 60.0° |
| C10 | N2 | H14 | H16 | 120.0° | 123.9° |
