RD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C13 | C18 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C9 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C | S | sing | 1.81Å | 1.75Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | S | doub | 1.42Å | 1.43Å | |
| N | S | sing | 1.66Å | 1.62Å | |
| C5 | CL | sing | 1.74Å | 1.74Å | |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| S | O | doub | 1.42Å | 1.43Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.5° | 119.6° |
| C14 | C15 | C16 | 120.7° | 121.0° |
| C14 | C15 | H6 | 119.6° | 119.5° |
| C15 | C14 | H9 | 119.7° | 120.2° |
| C14 | C13 | C12 | 123.2° | 122.0° |
| C14 | C13 | C18 | 119.1° | 119.3° |
| C13 | C14 | H9 | 119.7° | 120.2° |
| C15 | C16 | C17 | 120.6° | 121.0° |
| C16 | C15 | H6 | 119.6° | 119.5° |
| C15 | C16 | H8 | 119.7° | 119.4° |
| C13 | C12 | N2 | 124.2° | 120.2° |
| C12 | C13 | C18 | 117.7° | 118.7° |
| C13 | C12 | H10 | 117.9° | 119.9° |
| C12 | N2 | C11 | 117.6° | 122.9° |
| N2 | C12 | H10 | 117.9° | 119.9° |
| C13 | C18 | C17 | 118.1° | 119.6° |
| C13 | C18 | C10 | 118.1° | 118.2° |
| C16 | C17 | C18 | 120.9° | 119.5° |
| C16 | C17 | H7 | 119.5° | 120.3° |
| C17 | C16 | H8 | 119.7° | 119.6° |
| N2 | C11 | C10 | 125.1° | 121.6° |
| N2 | C11 | H11 | 117.5° | 119.2° |
| C17 | C18 | C10 | 123.8° | 122.2° |
| C18 | C17 | H7 | 119.5° | 120.2° |
| C18 | C10 | C11 | 117.4° | 118.5° |
| C18 | C10 | N1 | 118.8° | 120.8° |
| C11 | C10 | N1 | 123.8° | 120.8° |
| C10 | C11 | H11 | 117.5° | 119.2° |
| C10 | N1 | C9 | 128.2° | 120.0° |
| C10 | N1 | H1 | 115.9° | 120.0° |
| N1 | C9 | C8 | 114.7° | 120.0° |
| N1 | C9 | O2 | 123.5° | 120.0° |
| C9 | N1 | H1 | 115.9° | 120.0° |
| C8 | C9 | O2 | 121.9° | 120.0° |
| C9 | C8 | C7 | 110.0° | 109.5° |
| C9 | C8 | H4 | 109.3° | 109.5° |
| C9 | C8 | H5 | 109.3° | 109.5° |
| C8 | C7 | C6 | 118.6° | 120.0° |
| C8 | C7 | C2 | 122.4° | 120.0° |
| C7 | C8 | H4 | 109.4° | 109.4° |
| C7 | C8 | H5 | 109.3° | 109.5° |
| C6 | C7 | C2 | 119.1° | 120.0° |
| C7 | C6 | C5 | 120.0° | 120.0° |
| C7 | C6 | H3 | 120.0° | 120.0° |
| C7 | C2 | C1 | 120.8° | 120.0° |
| C7 | C2 | C3 | 119.1° | 120.1° |
| C6 | C5 | CL | 119.2° | 120.0° |
| C6 | C5 | C4 | 121.6° | 120.0° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| C | S | O1 | 108.1° | 110.5° |
| C | S | N | 107.7° | 104.4° |
| C | S | O | 108.1° | 110.6° |
| S | C | H16 | 109.5° | 109.4° |
| S | C | H17 | 109.5° | 109.5° |
| S | C | H18 | 109.5° | 109.5° |
| C2 | C1 | N | 113.2° | 109.5° |
| C1 | C2 | C3 | 120.1° | 119.9° |
| C2 | C1 | H13 | 108.6° | 109.5° |
| C2 | C1 | H14 | 108.5° | 109.5° |
| C1 | N | S | 124.2° | 120.0° |
| N | C1 | H13 | 108.5° | 109.5° |
| N | C1 | H14 | 108.5° | 109.5° |
| C1 | N | H15 | 105.7° | 120.0° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C2 | C3 | H12 | 119.4° | 120.0° |
| O1 | S | N | 106.9° | 104.3° |
| O1 | S | O | 118.7° | 121.1° |
| N | S | O | 106.9° | 104.3° |
| S | N | H15 | 105.7° | 120.0° |
| CL | C5 | C4 | 119.3° | 120.0° |
| C5 | C4 | C3 | 119.0° | 120.0° |
| C5 | C4 | H2 | 120.5° | 120.0° |
| C3 | C4 | H2 | 120.5° | 120.0° |
| C4 | C3 | H12 | 119.3° | 120.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H16 | C | H17 | 109.4° | 109.5° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.5° | 180.0° |
| C15 | C14 | C13 | C18 | 0.6° | 0.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C14 | C15 | C16 | H8 | 179.6° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C12 | C18 | 179.9° | 180.0° |
| C14 | C13 | C12 | N2 | 179.2° | 179.7° |
| C14 | C13 | C18 | C17 | 0.8° | 0.0° |
| C14 | C13 | C18 | C10 | 178.8° | 180.0° |
| C13 | C14 | C15 | H6 | 179.9° | 180.0° |
| C14 | C13 | C12 | H10 | 0.8° | 0.1° |
| C15 | C16 | C17 | H8 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H7 | 179.9° | 179.9° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C13 | C12 | N2 | H10 | 180.0° | 179.8° |
| C13 | C12 | N2 | C11 | 0.1° | 0.2° |
| C12 | C13 | C18 | C17 | 179.3° | 180.0° |
| C12 | C13 | C18 | C10 | 1.0° | 0.0° |
| C12 | C13 | C14 | H9 | 0.4° | 0.1° |
| N2 | C12 | C13 | C18 | 0.6° | 0.2° |
| C12 | N2 | C11 | C10 | 0.1° | 0.1° |
| C12 | N2 | C11 | H11 | 179.9° | 180.0° |
| C13 | C18 | C17 | C16 | 0.5° | 0.0° |
| C13 | C18 | C17 | C10 | 179.6° | 180.0° |
| C13 | C18 | C10 | C11 | 0.9° | 0.3° |
| C13 | C18 | C10 | N1 | 176.7° | 180.0° |
| C13 | C18 | C17 | H7 | 179.5° | 179.9° |
| C18 | C13 | C14 | H9 | 179.4° | 180.0° |
| C18 | C13 | C12 | H10 | 179.4° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C16 | C17 | C18 | C10 | 179.1° | 180.0° |
| C17 | C16 | C15 | H6 | 179.6° | 180.0° |
| N2 | C11 | C10 | C18 | 0.3° | 0.3° |
| N2 | C11 | C10 | H11 | 180.0° | 179.9° |
| N2 | C11 | C10 | N1 | 177.1° | 180.0° |
| C11 | N2 | C12 | H10 | 179.9° | 180.0° |
| C17 | C18 | C10 | C11 | 179.5° | 179.7° |
| C17 | C18 | C10 | N1 | 3.0° | 0.0° |
| C18 | C17 | C16 | H8 | 179.9° | 180.0° |
| C18 | C10 | C11 | N1 | 177.4° | 179.7° |
| C18 | C10 | N1 | C9 | 95.3° | 145.0° |
| C18 | C10 | N1 | H1 | 84.8° | 34.7° |
| C10 | C18 | C17 | H7 | 0.8° | 0.1° |
| C18 | C10 | C11 | H11 | 179.7° | 179.7° |
| C11 | C10 | N1 | C9 | 82.1° | 34.7° |
| C11 | C10 | N1 | H1 | 97.8° | 145.6° |
| C10 | N1 | C9 | H1 | 180.0° | 179.7° |
| C10 | N1 | C9 | C8 | 173.5° | 175.2° |
| C10 | N1 | C9 | O2 | 5.9° | 4.8° |
| N1 | C10 | C11 | H11 | 2.9° | 0.1° |
| N1 | C9 | C8 | O2 | 179.3° | 179.9° |
| N1 | C9 | C8 | C7 | 167.1° | 180.0° |
| N1 | C9 | C8 | H4 | 72.8° | 60.1° |
| N1 | C9 | C8 | H5 | 47.0° | 60.0° |
| C9 | C8 | C7 | H4 | 120.1° | 120.0° |
| C9 | C8 | C7 | H5 | 120.1° | 120.0° |
| C9 | C8 | C7 | C6 | 85.2° | 95.0° |
| C9 | C8 | C7 | C2 | 92.9° | 85.0° |
| C8 | C9 | N1 | H1 | 6.5° | 4.5° |
| C9 | C8 | H4 | H5 | 119.8° | 120.0° |
| O2 | C9 | C8 | C7 | 12.2° | 0.0° |
| O2 | C9 | N1 | H1 | 174.2° | 175.6° |
| O2 | C9 | C8 | H4 | 107.9° | 120.0° |
| O2 | C9 | C8 | H5 | 132.3° | 120.0° |
| C8 | C7 | C6 | C2 | 178.1° | 180.0° |
| C8 | C7 | C6 | C5 | 176.1° | 180.0° |
| C8 | C7 | C2 | C1 | 3.3° | 0.0° |
| C8 | C7 | C2 | C3 | 176.7° | 179.8° |
| C8 | C7 | C6 | H3 | 4.0° | 0.0° |
| C7 | C8 | H4 | H5 | 119.8° | 120.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 178.6° | 180.0° |
| C6 | C7 | C2 | C3 | 1.4° | 0.3° |
| C7 | C6 | C5 | CL | 176.8° | 180.0° |
| C7 | C6 | C5 | C4 | 1.4° | 0.0° |
| C6 | C7 | C8 | H4 | 154.7° | 25.0° |
| C6 | C7 | C8 | H5 | 34.9° | 145.0° |
| C2 | C7 | C6 | C5 | 2.1° | 0.0° |
| C7 | C2 | C1 | C3 | 180.0° | 179.8° |
| C7 | C2 | C1 | N | 178.8° | 80.0° |
| C7 | C2 | C3 | C4 | 0.0° | 0.5° |
| C2 | C7 | C6 | H3 | 177.9° | 179.9° |
| C2 | C7 | C8 | H4 | 27.2° | 155.0° |
| C2 | C7 | C8 | H5 | 147.1° | 35.0° |
| C7 | C2 | C3 | H12 | 180.0° | 179.7° |
| C7 | C2 | C1 | H13 | 58.2° | 160.0° |
| C7 | C2 | C1 | H14 | 60.7° | 40.0° |
| C6 | C5 | CL | C4 | 178.2° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.2° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C | S | N | C1 | 8.7° | 65.0° |
| C | S | O1 | N | 115.7° | 111.7° |
| C | S | O1 | O | 123.5° | 131.5° |
| C | S | N | O | 116.0° | 116.1° |
| C | S | N | H15 | 113.3° | 115.0° |
| S | C | H16 | H17 | 120.0° | 120.0° |
| S | C | H16 | H18 | 120.0° | 120.0° |
| S | C | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | N | H13 | 120.6° | 120.0° |
| C2 | C1 | N | H14 | 120.6° | 120.0° |
| C2 | C1 | N | S | 118.1° | 165.0° |
| C1 | C2 | C3 | C4 | 180.0° | 179.7° |
| C1 | C2 | C3 | H12 | 0.0° | 0.1° |
| C2 | C1 | H13 | H14 | 118.3° | 120.0° |
| C2 | C1 | N | H15 | 3.9° | 15.0° |
| N | C1 | C2 | C3 | 1.3° | 99.8° |
| C1 | N | S | O1 | 107.2° | 51.0° |
| C1 | N | S | H15 | 122.0° | 180.0° |
| C1 | N | S | O | 124.7° | 178.9° |
| N | C1 | H13 | H14 | 118.3° | 120.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.5° |
| C2 | C3 | C4 | H12 | 180.0° | 179.8° |
| C2 | C3 | C4 | H2 | 179.3° | 179.8° |
| C3 | C2 | C1 | H13 | 121.8° | 20.2° |
| C3 | C2 | C1 | H14 | 119.3° | 140.3° |
| O1 | S | N | O | 128.0° | 127.9° |
| O1 | S | N | H15 | 130.8° | 128.9° |
| O1 | S | C | H16 | 180.0° | 171.6° |
| O1 | S | C | H17 | 60.0° | 68.4° |
| O1 | S | C | H18 | 60.0° | 51.6° |
| S | N | C1 | H13 | 121.4° | 45.0° |
| S | N | C1 | H14 | 2.5° | 75.0° |
| N | S | C | H16 | 64.9° | 60.0° |
| N | S | C | H17 | 175.1° | 180.0° |
| N | S | C | H18 | 55.2° | 60.0° |
| CL | C5 | C4 | C3 | 178.2° | 179.8° |
| CL | C5 | C4 | H2 | 1.8° | 0.0° |
| CL | C5 | C6 | H3 | 3.2° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | H3 | 178.6° | 180.0° |
| C5 | C4 | C3 | H12 | 179.2° | 179.7° |
| O | S | N | H15 | 2.7° | 1.1° |
| O | S | C | H16 | 50.4° | 51.6° |
| O | S | C | H17 | 69.6° | 68.4° |
| O | S | C | H18 | 170.4° | 171.6° |
| H2 | C4 | C3 | H12 | 0.8° | 0.0° |
| H6 | C15 | C16 | H8 | 0.4° | 0.0° |
| H6 | C15 | C14 | H9 | 0.1° | 0.0° |
| H7 | C17 | C16 | H8 | 0.1° | 0.1° |
| H13 | C1 | N | H15 | 116.6° | 135.0° |
| H14 | C1 | N | H15 | 124.5° | 105.0° |
| H16 | C | H17 | H18 | 120.0° | 120.1° |
