RGX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C11 | C16 | sing | 1.42Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C9 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C8 | doub | 1.41Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C7 | sing | 1.35Å | 1.36Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | O | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | N | sing | 1.47Å | 1.48Å | |
| C6 | C17 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| S | N | sing | 1.66Å | 1.61Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | N3 | sing | 1.66Å | 1.63Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N3 | sing | 1.46Å | 1.47Å | |
| C19 | C21 | sing | 1.53Å | 1.48Å | |
| C18 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.6° | 119.5° |
| C12 | C13 | C14 | 120.6° | 121.1° |
| C12 | C13 | H9 | 119.7° | 119.4° |
| C13 | C12 | H20 | 119.7° | 120.3° |
| C12 | C11 | C10 | 123.1° | 122.0° |
| C12 | C11 | C16 | 119.1° | 119.3° |
| C11 | C12 | H20 | 119.7° | 120.2° |
| C13 | C14 | C15 | 120.6° | 121.0° |
| C14 | C13 | H9 | 119.7° | 119.4° |
| C13 | C14 | H19 | 119.7° | 119.5° |
| C11 | C10 | N2 | 124.1° | 120.2° |
| C10 | C11 | C16 | 117.8° | 118.7° |
| C11 | C10 | H8 | 118.0° | 119.9° |
| C10 | N2 | C9 | 117.5° | 122.9° |
| N2 | C10 | H8 | 117.9° | 119.9° |
| C11 | C16 | C15 | 118.1° | 119.6° |
| C11 | C16 | C8 | 118.1° | 118.2° |
| C14 | C15 | C16 | 120.9° | 119.5° |
| C14 | C15 | H10 | 119.5° | 120.2° |
| C15 | C14 | H19 | 119.7° | 119.5° |
| N2 | C9 | C8 | 125.2° | 121.5° |
| N2 | C9 | H21 | 117.4° | 119.2° |
| C15 | C16 | C8 | 123.8° | 122.2° |
| C16 | C15 | H10 | 119.5° | 120.2° |
| C16 | C8 | C9 | 117.3° | 118.5° |
| C16 | C8 | N1 | 118.8° | 120.7° |
| C9 | C8 | N1 | 123.7° | 120.8° |
| C8 | C9 | H21 | 117.4° | 119.2° |
| C8 | N1 | C7 | 127.4° | 120.0° |
| C8 | N1 | H1 | 116.3° | 120.0° |
| N1 | C7 | C6 | 115.0° | 120.0° |
| N1 | C7 | O | 123.1° | 119.9° |
| C7 | N1 | H1 | 116.3° | 120.0° |
| O2 | S | N | 108.4° | 106.4° |
| O2 | S | O1 | 119.4° | 123.1° |
| O2 | S | N3 | 110.6° | 106.4° |
| C6 | C7 | O | 121.9° | 120.1° |
| C7 | C6 | C5 | 110.9° | 109.2° |
| C7 | C6 | C17 | 108.3° | 109.2° |
| C7 | C6 | H7 | 109.0° | 109.1° |
| C6 | C5 | N | 113.2° | 107.9° |
| C5 | C6 | C17 | 110.4° | 110.8° |
| C6 | C5 | H5 | 108.5° | 109.8° |
| C6 | C5 | H6 | 108.5° | 109.7° |
| C5 | C6 | H7 | 109.0° | 109.2° |
| C5 | N | S | 124.9° | 121.3° |
| C5 | N | C4 | 116.1° | 117.3° |
| N | C5 | H5 | 108.6° | 109.8° |
| N | C5 | H6 | 108.5° | 109.8° |
| C6 | C17 | C18 | 120.6° | 117.5° |
| C6 | C17 | C3 | 119.9° | 122.9° |
| C17 | C6 | H7 | 109.1° | 109.3° |
| C19 | C20 | C21 | 59.9° | 60.0° |
| C20 | C19 | N3 | 118.8° | 117.5° |
| C20 | C19 | C21 | 60.2° | 60.0° |
| C19 | C20 | H11 | 120.0° | 117.5° |
| C19 | C20 | H12 | 120.0° | 117.5° |
| C20 | C19 | H15 | 115.9° | 117.5° |
| C20 | C21 | C19 | 59.9° | 60.0° |
| C21 | C20 | H11 | 120.0° | 117.5° |
| C21 | C20 | H12 | 120.0° | 117.5° |
| C20 | C21 | H13 | 120.0° | 117.5° |
| C20 | C21 | H14 | 120.0° | 117.5° |
| N | S | O1 | 104.1° | 106.4° |
| N | S | N3 | 107.8° | 107.2° |
| S | N | C4 | 118.4° | 121.4° |
| O1 | S | N3 | 106.0° | 106.4° |
| S | N3 | C19 | 124.4° | 120.0° |
| S | N3 | H2 | 105.6° | 120.0° |
| N | C4 | C3 | 113.3° | 109.6° |
| N | C4 | H3 | 108.5° | 109.4° |
| N | C4 | H4 | 108.5° | 109.4° |
| C18 | C17 | C3 | 119.4° | 119.6° |
| C17 | C18 | C | 119.6° | 120.5° |
| C17 | C18 | H18 | 120.2° | 119.7° |
| C17 | C3 | C4 | 123.7° | 122.3° |
| C17 | C3 | C2 | 119.1° | 119.9° |
| N3 | C19 | C21 | 118.4° | 117.5° |
| C19 | N3 | H2 | 105.6° | 120.0° |
| N3 | C19 | H15 | 116.1° | 115.5° |
| C19 | C21 | H13 | 120.0° | 117.5° |
| C19 | C21 | H14 | 120.0° | 117.5° |
| C21 | C19 | H15 | 115.9° | 117.5° |
| C18 | C | CL | 119.3° | 120.1° |
| C18 | C | C1 | 121.7° | 119.8° |
| C | C18 | H18 | 120.2° | 119.7° |
| C4 | C3 | C2 | 117.2° | 117.8° |
| C3 | C4 | H3 | 108.5° | 109.4° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| C3 | C2 | C1 | 121.2° | 120.5° |
| C3 | C2 | H16 | 119.4° | 119.7° |
| CL | C | C1 | 119.1° | 120.1° |
| C | C1 | C2 | 119.0° | 119.7° |
| C | C1 | H17 | 120.5° | 120.2° |
| C1 | C2 | H16 | 119.4° | 119.8° |
| C2 | C1 | H17 | 120.5° | 120.1° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.8° |
| H11 | C20 | H12 | 109.4° | 115.6° |
| H13 | C21 | H14 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.9° | 0.0° |
| C12 | C13 | C14 | C15 | 0.9° | 0.0° |
| C12 | C13 | C14 | H19 | 179.1° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | C16 | 179.1° | 180.0° |
| C12 | C11 | C10 | N2 | 178.3° | 179.7° |
| C12 | C11 | C16 | C15 | 1.5° | 0.0° |
| C12 | C11 | C16 | C8 | 177.4° | 179.9° |
| C12 | C11 | C10 | H8 | 1.7° | 0.0° |
| C11 | C12 | C13 | H9 | 179.7° | 180.0° |
| C13 | C14 | C15 | H19 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H10 | 179.8° | 179.9° |
| C14 | C13 | C12 | H20 | 179.7° | 180.0° |
| C11 | C10 | N2 | H8 | 180.0° | 179.7° |
| C11 | C10 | N2 | C9 | 0.4° | 0.4° |
| C10 | C11 | C16 | C15 | 179.4° | 180.0° |
| C10 | C11 | C16 | C8 | 1.7° | 0.0° |
| C10 | C11 | C12 | H20 | 0.0° | 0.0° |
| N2 | C10 | C11 | C16 | 0.8° | 0.3° |
| C10 | N2 | C9 | C8 | 0.7° | 0.1° |
| C10 | N2 | C9 | H21 | 179.4° | 180.0° |
| C11 | C16 | C15 | C14 | 1.0° | 0.0° |
| C11 | C16 | C15 | C8 | 178.9° | 179.9° |
| C11 | C16 | C8 | C9 | 1.5° | 0.2° |
| C11 | C16 | C8 | N1 | 173.8° | 180.0° |
| C16 | C11 | C10 | H8 | 179.2° | 180.0° |
| C11 | C16 | C15 | H10 | 179.1° | 180.0° |
| C16 | C11 | C12 | H20 | 179.1° | 180.0° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C14 | C15 | C16 | C8 | 177.9° | 179.9° |
| C15 | C14 | C13 | H9 | 179.1° | 180.0° |
| N2 | C9 | C8 | C16 | 0.3° | 0.2° |
| N2 | C9 | C8 | H21 | 180.0° | 179.9° |
| N2 | C9 | C8 | N1 | 174.8° | 180.0° |
| C9 | N2 | C10 | H8 | 179.6° | 180.0° |
| C15 | C16 | C8 | C9 | 179.7° | 179.7° |
| C15 | C16 | C8 | N1 | 5.0° | 0.1° |
| C16 | C15 | C14 | H19 | 179.8° | 180.0° |
| C16 | C8 | C9 | N1 | 175.1° | 179.8° |
| C16 | C8 | N1 | C7 | 102.4° | 145.2° |
| C16 | C8 | N1 | H1 | 77.6° | 35.2° |
| C8 | C16 | C15 | H10 | 2.1° | 0.1° |
| C16 | C8 | C9 | H21 | 179.7° | 179.7° |
| C9 | C8 | N1 | C7 | 72.6° | 34.6° |
| C9 | C8 | N1 | H1 | 107.4° | 145.1° |
| C8 | N1 | C7 | H1 | 180.0° | 179.7° |
| C8 | N1 | C7 | C6 | 179.7° | 175.9° |
| C8 | N1 | C7 | O | 0.8° | 4.1° |
| N1 | C8 | C9 | H21 | 5.3° | 0.1° |
| N1 | C7 | C6 | O | 178.9° | 180.0° |
| N1 | C7 | C6 | C5 | 76.6° | 180.0° |
| N1 | C7 | C6 | C17 | 162.1° | 58.7° |
| N1 | C7 | C6 | H7 | 43.5° | 60.7° |
| O2 | S | N | C5 | 17.7° | 23.6° |
| O2 | S | N | O1 | 128.0° | 132.9° |
| O2 | S | N | N3 | 119.7° | 113.5° |
| O2 | S | O1 | N3 | 125.5° | 122.9° |
| O2 | S | N | C4 | 171.2° | 156.5° |
| O2 | S | N3 | C19 | 37.8° | 178.5° |
| O2 | S | N3 | H2 | 84.2° | 1.4° |
| C7 | C6 | C5 | C17 | 120.1° | 120.3° |
| C7 | C6 | C5 | H7 | 120.0° | 119.3° |
| C7 | C6 | C5 | N | 70.6° | 72.9° |
| C7 | C6 | C17 | H7 | 118.5° | 119.3° |
| C7 | C6 | C17 | C18 | 81.9° | 79.3° |
| C7 | C6 | C17 | C3 | 95.4° | 100.6° |
| C6 | C7 | N1 | H1 | 0.3° | 4.4° |
| C7 | C6 | C5 | H5 | 50.0° | 46.7° |
| C7 | C6 | C5 | H6 | 168.9° | 167.5° |
| O | C7 | C6 | C5 | 102.4° | 0.0° |
| O | C7 | C6 | C17 | 19.0° | 121.3° |
| O | C7 | N1 | H1 | 179.2° | 175.6° |
| O | C7 | C6 | H7 | 137.6° | 119.3° |
| C6 | C5 | N | H5 | 120.5° | 119.6° |
| C6 | C5 | N | H6 | 120.5° | 119.6° |
| C5 | C6 | C17 | H7 | 119.8° | 120.4° |
| C6 | C5 | N | S | 133.2° | 115.7° |
| C6 | C5 | N | C4 | 55.5° | 64.4° |
| C5 | C6 | C17 | C18 | 156.4° | 160.5° |
| C5 | C6 | C17 | C3 | 26.2° | 19.7° |
| C6 | C5 | H5 | H6 | 118.3° | 120.7° |
| N | C5 | C6 | C17 | 49.6° | 47.4° |
| C5 | N | S | C4 | 171.1° | 179.9° |
| C5 | N | S | O1 | 110.3° | 156.5° |
| C5 | N | S | N3 | 137.4° | 90.0° |
| C5 | N | C4 | C3 | 33.0° | 44.4° |
| C5 | N | C4 | H3 | 153.6° | 164.4° |
| C5 | N | C4 | H4 | 87.5° | 75.7° |
| N | C5 | H5 | H6 | 118.3° | 120.8° |
| N | C5 | C6 | H7 | 169.4° | 167.8° |
| C6 | C17 | C18 | C3 | 177.4° | 179.8° |
| C6 | C17 | C18 | C | 175.4° | 179.5° |
| C6 | C17 | C3 | C4 | 6.7° | 0.8° |
| C6 | C17 | C3 | C2 | 175.2° | 179.4° |
| C17 | C6 | C5 | H5 | 170.1° | 167.0° |
| C17 | C6 | C5 | H6 | 71.0° | 72.2° |
| C6 | C17 | C18 | H18 | 4.6° | 0.5° |
| C19 | C20 | C21 | H11 | 109.5° | 107.5° |
| C19 | C20 | C21 | H12 | 109.5° | 107.5° |
| C20 | C19 | N3 | S | 84.5° | 145.0° |
| C20 | C19 | N3 | C21 | 69.6° | 68.6° |
| C20 | C19 | N3 | H15 | 145.5° | 145.6° |
| C20 | C19 | C21 | H15 | 106.3° | 107.5° |
| C20 | C19 | N3 | H2 | 37.6° | 35.0° |
| C19 | C20 | H11 | H12 | 144.8° | 145.7° |
| C19 | C20 | C21 | H13 | 109.5° | 107.5° |
| C19 | C20 | C21 | H14 | 109.4° | 107.5° |
| C21 | C20 | H11 | H12 | 144.8° | 145.6° |
| C20 | C21 | H13 | H14 | 144.7° | 145.7° |
| N | S | O1 | N3 | 113.6° | 114.1° |
| N | S | N3 | C19 | 80.5° | 65.0° |
| S | N | C4 | C3 | 155.2° | 135.7° |
| N | S | N3 | H2 | 157.5° | 115.0° |
| S | N | C4 | H3 | 34.6° | 15.7° |
| S | N | C4 | H4 | 84.3° | 104.2° |
| S | N | C5 | H5 | 12.7° | 3.9° |
| S | N | C5 | H6 | 106.3° | 124.7° |
| O1 | S | N | C4 | 60.7° | 23.6° |
| O1 | S | N3 | C19 | 168.6° | 48.6° |
| O1 | S | N3 | H2 | 46.5° | 131.5° |
| N3 | S | N | C4 | 51.5° | 89.9° |
| S | N3 | C19 | H2 | 122.0° | 180.0° |
| S | N3 | C19 | C21 | 154.1° | 146.4° |
| S | N3 | C19 | H15 | 61.0° | 0.6° |
| N | C4 | C3 | C17 | 8.8° | 11.2° |
| N | C4 | C3 | H3 | 120.6° | 120.0° |
| N | C4 | C3 | H4 | 120.5° | 120.1° |
| N | C4 | C3 | C2 | 173.1° | 169.0° |
| N | C4 | H3 | H4 | 118.3° | 119.9° |
| C4 | N | C5 | H5 | 176.1° | 176.0° |
| C4 | N | C5 | H6 | 65.0° | 55.2° |
| C17 | C18 | C | H18 | 180.0° | 180.0° |
| C18 | C17 | C3 | C4 | 175.9° | 179.3° |
| C18 | C17 | C3 | C2 | 2.2° | 0.4° |
| C17 | C18 | C | CL | 179.9° | 179.9° |
| C17 | C18 | C | C1 | 0.2° | 0.0° |
| C18 | C17 | C6 | H7 | 36.6° | 40.1° |
| C3 | C17 | C18 | C | 2.0° | 0.3° |
| C17 | C3 | C4 | C2 | 178.1° | 179.8° |
| C17 | C3 | C2 | C1 | 0.7° | 0.3° |
| C17 | C3 | C4 | H3 | 129.4° | 131.1° |
| C17 | C3 | C4 | H4 | 111.7° | 108.9° |
| C3 | C17 | C6 | H7 | 146.0° | 140.1° |
| C17 | C3 | C2 | H16 | 179.4° | 179.7° |
| C3 | C17 | C18 | H18 | 178.0° | 179.6° |
| N3 | C19 | C21 | H15 | 144.9° | 145.0° |
| N3 | C19 | C20 | H11 | 142.5° | 0.0° |
| N3 | C19 | C20 | H12 | 1.4° | 145.0° |
| N3 | C19 | C21 | H13 | 141.8° | 145.0° |
| N3 | C19 | C21 | H14 | 0.7° | 0.0° |
| C21 | C19 | N3 | H2 | 32.1° | 33.6° |
| C19 | C21 | H13 | H14 | 144.8° | 145.7° |
| C18 | C | CL | C1 | 179.7° | 179.9° |
| C18 | C | C1 | C2 | 1.3° | 0.2° |
| C18 | C | C1 | H17 | 178.7° | 179.8° |
| C4 | C3 | C2 | C1 | 177.5° | 179.5° |
| C3 | C4 | H3 | H4 | 118.3° | 120.0° |
| C4 | C3 | C2 | H16 | 2.4° | 0.5° |
| C3 | C2 | C1 | C | 1.1° | 0.0° |
| C3 | C2 | C1 | H16 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 52.5° | 49.1° |
| C2 | C3 | C4 | H4 | 66.4° | 70.9° |
| C3 | C2 | C1 | H17 | 178.9° | 179.9° |
| CL | C | C1 | C2 | 178.4° | 179.8° |
| CL | C | C1 | H17 | 1.6° | 0.3° |
| CL | C | C18 | H18 | 0.1° | 0.0° |
| C | C1 | C2 | H17 | 180.0° | 180.0° |
| C | C1 | C2 | H16 | 178.9° | 180.0° |
| C1 | C | C18 | H18 | 179.8° | 179.9° |
| H2 | N3 | C19 | H15 | 176.9° | 179.3° |
| H5 | C5 | C6 | H7 | 70.0° | 72.5° |
| H6 | C5 | C6 | H7 | 48.9° | 48.2° |
| H9 | C13 | C14 | H19 | 0.9° | 0.0° |
| H9 | C13 | C12 | H20 | 0.3° | 0.0° |
| H10 | C15 | C14 | H19 | 0.2° | 0.0° |
| H11 | C20 | C21 | H13 | 0.0° | 145.0° |
| H11 | C20 | C21 | H14 | 141.1° | 0.0° |
| H11 | C20 | C19 | H15 | 3.1° | 145.0° |
| H12 | C20 | C21 | H13 | 141.1° | 0.0° |
| H12 | C20 | C21 | H14 | 0.0° | 145.0° |
| H12 | C20 | C19 | H15 | 144.2° | 0.1° |
| H13 | C21 | C19 | H15 | 3.1° | 0.0° |
| H14 | C21 | C19 | H15 | 144.2° | 145.1° |
| H16 | C2 | C1 | H17 | 1.1° | 0.0° |
