RC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C10 | sing | 1.36Å | 1.36Å | |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.42Å | |
| C9 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| N2 | C8 | sing | 1.35Å | 1.36Å | |
| C8 | N1 | sing | 1.35Å | 1.37Å | |
| C8 | O4 | doub | 1.22Å | 1.23Å | |
| N1 | C3 | sing | 1.40Å | 1.41Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | B1 | sing | 1.56Å | 1.61Å | |
| O2 | B1 | sing | 1.37Å | 1.43Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| O1 | C7 | sing | 1.44Å | 1.42Å | |
| O1 | B1 | sing | 1.38Å | 1.43Å | |
| B1 | O3 | sing | 1.37Å | 1.45Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O5 | C10 | 117.9° | 117.0° |
| O5 | C16 | H7 | 109.5° | 109.5° |
| O5 | C16 | H8 | 109.5° | 109.4° |
| O5 | C16 | H9 | 109.5° | 109.5° |
| O5 | C10 | C11 | 123.1° | 120.1° |
| O5 | C10 | C9 | 116.6° | 120.1° |
| C10 | C11 | C12 | 121.9° | 120.0° |
| C11 | C10 | C9 | 120.4° | 119.8° |
| C10 | C11 | H10 | 119.1° | 119.9° |
| C11 | C12 | C13 | 117.5° | 120.2° |
| C12 | C11 | H10 | 119.1° | 120.0° |
| C11 | C12 | H11 | 121.2° | 119.9° |
| C10 | C9 | N2 | 117.8° | 120.1° |
| C10 | C9 | C14 | 117.6° | 119.9° |
| C12 | C13 | C14 | 121.5° | 120.2° |
| C12 | C13 | C15 | 119.0° | 119.9° |
| C13 | C12 | H11 | 121.2° | 119.9° |
| N2 | C9 | C14 | 124.6° | 120.1° |
| C9 | N2 | C8 | 127.4° | 120.1° |
| C9 | N2 | H14 | 116.3° | 120.0° |
| C9 | C14 | C13 | 121.2° | 120.0° |
| C9 | C14 | H12 | 119.4° | 120.0° |
| C14 | C13 | C15 | 119.5° | 119.9° |
| C13 | C14 | H12 | 119.4° | 120.0° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.5° |
| N2 | C8 | N1 | 112.4° | 120.0° |
| N2 | C8 | O4 | 123.6° | 119.9° |
| C8 | N2 | H14 | 116.3° | 120.0° |
| N1 | C8 | O4 | 124.0° | 120.0° |
| C8 | N1 | C3 | 127.9° | 120.0° |
| C8 | N1 | H13 | 116.1° | 120.0° |
| N1 | C3 | C4 | 123.8° | 120.0° |
| N1 | C3 | C2 | 116.6° | 120.0° |
| C3 | N1 | H13 | 116.1° | 120.0° |
| C4 | C3 | C2 | 119.5° | 120.0° |
| C3 | C4 | C5 | 121.4° | 120.0° |
| C3 | C4 | H2 | 119.3° | 120.0° |
| C3 | C2 | C1 | 120.5° | 119.7° |
| C3 | C2 | H3 | 119.8° | 120.2° |
| C4 | C5 | C6 | 119.1° | 119.9° |
| C4 | C5 | H1 | 120.5° | 120.0° |
| C5 | C4 | H2 | 119.3° | 120.0° |
| C2 | C1 | C6 | 119.0° | 120.2° |
| C2 | C1 | B1 | 136.3° | 133.6° |
| C1 | C2 | H3 | 119.7° | 120.1° |
| C5 | C6 | C1 | 120.5° | 120.2° |
| C5 | C6 | C7 | 130.5° | 133.5° |
| C6 | C5 | H1 | 120.5° | 120.1° |
| C6 | C1 | B1 | 104.7° | 106.2° |
| C1 | C6 | C7 | 109.0° | 106.3° |
| C1 | B1 | O2 | 119.7° | 110.1° |
| C1 | B1 | O1 | 101.0° | 106.0° |
| C1 | B1 | O3 | 114.4° | 110.1° |
| O2 | B1 | O1 | 102.1° | 110.3° |
| O2 | B1 | O3 | 110.0° | 110.2° |
| B1 | O2 | H18 | 109.5° | 114.0° |
| C6 | C7 | O1 | 105.2° | 106.5° |
| C6 | C7 | H4 | 110.5° | 110.1° |
| C6 | C7 | H5 | 110.5° | 110.0° |
| C7 | O1 | B1 | 107.2° | 106.1° |
| O1 | C7 | H4 | 110.5° | 110.1° |
| O1 | C7 | H5 | 110.6° | 110.1° |
| O1 | B1 | O3 | 107.6° | 110.0° |
| B1 | O3 | H6 | 109.5° | 114.0° |
| H4 | C7 | H5 | 109.5° | 110.1° |
| H7 | C16 | H8 | 109.5° | 109.4° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.4° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O5 | C10 | C11 | 3.6° | 0.0° |
| C16 | O5 | C10 | C9 | 176.7° | 179.9° |
| O5 | C16 | H7 | H8 | 120.0° | 120.0° |
| O5 | C16 | H7 | H9 | 120.0° | 120.0° |
| O5 | C16 | H8 | H9 | 120.0° | 120.0° |
| O5 | C10 | C11 | C9 | 179.8° | 180.0° |
| O5 | C10 | C11 | C12 | 179.7° | 180.0° |
| O5 | C10 | C9 | N2 | 0.1° | 0.0° |
| O5 | C10 | C9 | C14 | 179.9° | 180.0° |
| C10 | O5 | C16 | H7 | 180.0° | 60.0° |
| C10 | O5 | C16 | H8 | 60.0° | 60.0° |
| C10 | O5 | C16 | H9 | 60.0° | 180.0° |
| O5 | C10 | C11 | H10 | 0.3° | 0.3° |
| C10 | C11 | C12 | H10 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C9 | N2 | 179.7° | 180.0° |
| C11 | C10 | C9 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | H11 | 179.8° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | C15 | 179.8° | 180.0° |
| C10 | C9 | N2 | C14 | 179.8° | 180.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.0° |
| C10 | C9 | N2 | C8 | 167.6° | 145.3° |
| C9 | C10 | C11 | H10 | 179.9° | 179.7° |
| C10 | C9 | C14 | H12 | 179.8° | 179.9° |
| C10 | C9 | N2 | H14 | 12.4° | 34.7° |
| C12 | C13 | C14 | C9 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 179.7° | 180.0° |
| C13 | C12 | C11 | H10 | 179.8° | 179.7° |
| C12 | C13 | C14 | H12 | 179.9° | 180.0° |
| C12 | C13 | C15 | H15 | 89.9° | 90.0° |
| C12 | C13 | C15 | H16 | 150.1° | 150.0° |
| C12 | C13 | C15 | H17 | 30.1° | 30.0° |
| N2 | C9 | C14 | C13 | 179.6° | 180.0° |
| C9 | N2 | C8 | H14 | 180.0° | 180.0° |
| C9 | N2 | C8 | N1 | 179.4° | 175.4° |
| C9 | N2 | C8 | O4 | 1.9° | 4.5° |
| N2 | C9 | C14 | H12 | 0.4° | 0.0° |
| C9 | C14 | C13 | H12 | 180.0° | 180.0° |
| C9 | C14 | C13 | C15 | 179.6° | 180.0° |
| C14 | C9 | N2 | C8 | 12.2° | 34.7° |
| C14 | C9 | N2 | H14 | 167.8° | 145.3° |
| C14 | C13 | C12 | H11 | 179.9° | 180.0° |
| C14 | C13 | C15 | H15 | 89.9° | 90.0° |
| C14 | C13 | C15 | H16 | 30.1° | 30.0° |
| C14 | C13 | C15 | H17 | 150.1° | 150.0° |
| C15 | C13 | C12 | H11 | 0.2° | 0.0° |
| C15 | C13 | C14 | H12 | 0.4° | 0.0° |
| C13 | C15 | H15 | H16 | 120.0° | 120.0° |
| C13 | C15 | H15 | H17 | 120.0° | 120.0° |
| C13 | C15 | H16 | H17 | 120.0° | 120.0° |
| N2 | C8 | N1 | O4 | 178.7° | 179.9° |
| N2 | C8 | N1 | C3 | 178.8° | 175.5° |
| N2 | C8 | N1 | H13 | 1.2° | 4.6° |
| C8 | N1 | C3 | H13 | 180.0° | 180.0° |
| C8 | N1 | C3 | C4 | 16.3° | 144.9° |
| C8 | N1 | C3 | C2 | 160.3° | 35.1° |
| N1 | C8 | N2 | H14 | 0.6° | 4.6° |
| O4 | C8 | N1 | C3 | 2.5° | 4.5° |
| O4 | C8 | N1 | H13 | 177.5° | 175.5° |
| O4 | C8 | N2 | H14 | 178.0° | 175.5° |
| N1 | C3 | C4 | C2 | 176.5° | 180.0° |
| N1 | C3 | C4 | C5 | 176.4° | 179.9° |
| N1 | C3 | C2 | C1 | 176.6° | 179.9° |
| N1 | C3 | C4 | H2 | 3.6° | 0.1° |
| N1 | C3 | C2 | H3 | 3.4° | 0.1° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H1 | 179.8° | 179.8° |
| C4 | C3 | C2 | H3 | 179.8° | 179.9° |
| C4 | C3 | N1 | H13 | 163.7° | 35.1° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C3 | C2 | C1 | B1 | 177.5° | 179.8° |
| C2 | C3 | C4 | H2 | 179.9° | 179.9° |
| C2 | C3 | N1 | H13 | 19.7° | 144.9° |
| C4 | C5 | C6 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.3° | 0.1° |
| C4 | C5 | C6 | C7 | 177.4° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C2 | C1 | C6 | B1 | 178.4° | 179.9° |
| C2 | C1 | B1 | O2 | 47.5° | 79.0° |
| C2 | C1 | C6 | C7 | 177.8° | 180.0° |
| C2 | C1 | B1 | O1 | 158.4° | 161.7° |
| C2 | C1 | B1 | O3 | 86.4° | 42.8° |
| C5 | C6 | C1 | C7 | 178.1° | 179.9° |
| C5 | C6 | C1 | B1 | 178.1° | 179.8° |
| C5 | C6 | C7 | O1 | 160.0° | 162.3° |
| C6 | C5 | C4 | H2 | 179.8° | 180.0° |
| C5 | C6 | C7 | H4 | 80.7° | 43.1° |
| C5 | C6 | C7 | H5 | 40.6° | 78.4° |
| C6 | C1 | B1 | O2 | 134.6° | 101.2° |
| C1 | C6 | C7 | O1 | 17.9° | 17.5° |
| C6 | C1 | B1 | O1 | 23.7° | 18.1° |
| C6 | C1 | B1 | O3 | 91.6° | 137.1° |
| C1 | C6 | C5 | H1 | 179.8° | 179.7° |
| C6 | C1 | C2 | H3 | 179.7° | 179.8° |
| C1 | C6 | C7 | H4 | 101.4° | 136.8° |
| C1 | C6 | C7 | H5 | 137.3° | 101.7° |
| C1 | B1 | O2 | O1 | 110.3° | 116.6° |
| C1 | B1 | O2 | O3 | 135.7° | 121.7° |
| B1 | C1 | C6 | C7 | 3.8° | 0.1° |
| C1 | B1 | O1 | C7 | 35.5° | 29.0° |
| C1 | B1 | O1 | O3 | 120.2° | 119.0° |
| B1 | C1 | C2 | H3 | 2.5° | 0.4° |
| C1 | B1 | O3 | H6 | 180.0° | 180.0° |
| C1 | B1 | O2 | H18 | 180.0° | 179.9° |
| O2 | B1 | O1 | C7 | 159.5° | 90.2° |
| O2 | B1 | O1 | O3 | 115.8° | 121.8° |
| O2 | B1 | O3 | H6 | 41.8° | 58.3° |
| C6 | C7 | O1 | H4 | 119.3° | 119.3° |
| C6 | C7 | O1 | H5 | 119.3° | 119.2° |
| C6 | C7 | O1 | B1 | 34.7° | 29.5° |
| C7 | C6 | C5 | H1 | 2.6° | 0.2° |
| C6 | C7 | H4 | H5 | 122.0° | 121.4° |
| C7 | O1 | B1 | O3 | 84.7° | 148.0° |
| O1 | C7 | H4 | H5 | 122.0° | 121.5° |
| B1 | O1 | C7 | H4 | 84.6° | 148.8° |
| B1 | O1 | C7 | H5 | 154.0° | 89.7° |
| O1 | B1 | O3 | H6 | 68.7° | 63.6° |
| O1 | B1 | O2 | H18 | 69.7° | 63.4° |
| O3 | B1 | O2 | H18 | 44.3° | 58.2° |
| H1 | C5 | C4 | H2 | 0.1° | 0.2° |
| H7 | C16 | H8 | H9 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 0.2° | 0.3° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
