RBX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| C9 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| N3 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| O | S | doub | 1.42Å | 1.42Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | C15 | sing | 1.51Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| S | N1 | sing | 1.66Å | 1.60Å | |
| S | O1 | doub | 1.42Å | 1.42Å | |
| S | N | sing | 1.66Å | 1.60Å | |
| N1 | C21 | sing | 1.47Å | 1.47Å | |
| C1 | N | sing | 1.46Å | 1.48Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C2 | sing | 1.46Å | 1.47Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | CL | sing | 1.74Å | 1.74Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.6° | 119.5° |
| C10 | C11 | C12 | 120.6° | 121.1° |
| C11 | C10 | H4 | 119.7° | 120.2° |
| C10 | C11 | H23 | 119.7° | 119.5° |
| C10 | C9 | C8 | 123.2° | 121.9° |
| C10 | C9 | C14 | 119.0° | 119.3° |
| C9 | C10 | H4 | 119.7° | 120.3° |
| C11 | C12 | C13 | 120.7° | 121.0° |
| C11 | C12 | H22 | 119.6° | 119.5° |
| C12 | C11 | H23 | 119.7° | 119.5° |
| C9 | C8 | N3 | 124.1° | 120.2° |
| C8 | C9 | C14 | 117.8° | 118.8° |
| C9 | C8 | H3 | 117.9° | 120.0° |
| C8 | N3 | C7 | 117.6° | 122.9° |
| N3 | C8 | H3 | 117.9° | 119.9° |
| C9 | C14 | C13 | 118.1° | 119.6° |
| C9 | C14 | C6 | 118.1° | 118.2° |
| C12 | C13 | C14 | 121.0° | 119.5° |
| C12 | C13 | H5 | 119.5° | 120.2° |
| C13 | C12 | H22 | 119.7° | 119.6° |
| N3 | C7 | C6 | 125.1° | 121.6° |
| N3 | C7 | H2 | 117.4° | 119.2° |
| C13 | C14 | C6 | 123.8° | 122.2° |
| C14 | C13 | H5 | 119.5° | 120.2° |
| C14 | C6 | C7 | 117.3° | 118.5° |
| C14 | C6 | N2 | 118.8° | 120.7° |
| C7 | C6 | N2 | 123.7° | 120.8° |
| C6 | C7 | H2 | 117.5° | 119.3° |
| C6 | N2 | C5 | 127.2° | 120.0° |
| C6 | N2 | H21 | 116.4° | 120.0° |
| N2 | C5 | C4 | 114.6° | 120.0° |
| N2 | C5 | O2 | 123.1° | 120.0° |
| C5 | N2 | H21 | 116.4° | 120.0° |
| O | S | N1 | 107.9° | 106.4° |
| O | S | O1 | 120.5° | 123.2° |
| O | S | N | 108.9° | 106.4° |
| C4 | C5 | O2 | 122.3° | 120.0° |
| C5 | C4 | C3 | 111.5° | 108.9° |
| C5 | C4 | C15 | 109.0° | 109.2° |
| C5 | C4 | H1 | 108.5° | 109.1° |
| C4 | C3 | N1 | 113.5° | 107.9° |
| C3 | C4 | C15 | 110.6° | 110.9° |
| C3 | C4 | H1 | 108.5° | 109.5° |
| C4 | C3 | H19 | 108.4° | 109.8° |
| C4 | C3 | H20 | 108.4° | 109.8° |
| C3 | N1 | S | 118.4° | 121.4° |
| C3 | N1 | C21 | 115.9° | 117.3° |
| N1 | C3 | H19 | 108.4° | 109.8° |
| N1 | C3 | H20 | 108.5° | 109.7° |
| C4 | C15 | C16 | 120.5° | 117.6° |
| C4 | C15 | C20 | 120.1° | 122.8° |
| C15 | C4 | H1 | 108.7° | 109.2° |
| C | C1 | N | 112.4° | 109.5° |
| C | C1 | H14 | 108.7° | 109.5° |
| C | C1 | H15 | 108.7° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.4° | 109.5° |
| N1 | S | O1 | 106.4° | 106.4° |
| N1 | S | N | 103.5° | 107.2° |
| S | N1 | C21 | 124.9° | 121.3° |
| O1 | S | N | 108.2° | 106.4° |
| S | N | C1 | 126.6° | 120.0° |
| S | N | C2 | 118.0° | 120.0° |
| N1 | C21 | C20 | 113.3° | 109.7° |
| N1 | C21 | H6 | 108.5° | 109.4° |
| N1 | C21 | H7 | 108.5° | 109.4° |
| C1 | N | C2 | 115.4° | 120.0° |
| N | C1 | H14 | 108.7° | 109.4° |
| N | C1 | H15 | 108.7° | 109.5° |
| C16 | C15 | C20 | 119.4° | 119.5° |
| C15 | C16 | C17 | 119.5° | 120.6° |
| C15 | C16 | H8 | 120.2° | 119.7° |
| C15 | C20 | C21 | 123.7° | 122.4° |
| C15 | C20 | C19 | 119.1° | 119.9° |
| C16 | C17 | CL | 119.3° | 120.1° |
| C16 | C17 | C18 | 121.7° | 119.8° |
| C17 | C16 | H8 | 120.2° | 119.7° |
| N | C2 | H11 | 109.5° | 109.5° |
| N | C2 | H12 | 109.5° | 109.5° |
| N | C2 | H13 | 109.5° | 109.5° |
| C21 | C20 | C19 | 117.2° | 117.7° |
| C20 | C21 | H6 | 108.5° | 109.5° |
| C20 | C21 | H7 | 108.5° | 109.4° |
| C20 | C19 | C18 | 121.3° | 120.5° |
| C20 | C19 | H10 | 119.4° | 119.7° |
| CL | C17 | C18 | 119.1° | 120.1° |
| C17 | C18 | C19 | 119.0° | 119.7° |
| C17 | C18 | H9 | 120.5° | 120.2° |
| C19 | C18 | H9 | 120.5° | 120.1° |
| C18 | C19 | H10 | 119.4° | 119.7° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H11 | C2 | H13 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H16 | C | H17 | 109.4° | 109.4° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | H23 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 176.6° | 180.0° |
| C11 | C10 | C9 | C14 | 1.0° | 0.1° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H22 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.1° |
| C10 | C9 | C8 | C14 | 177.6° | 179.9° |
| C10 | C9 | C8 | N3 | 177.6° | 179.9° |
| C10 | C9 | C14 | C13 | 0.7° | 0.1° |
| C10 | C9 | C14 | C6 | 179.0° | 180.0° |
| C10 | C9 | C8 | H3 | 2.4° | 0.0° |
| C9 | C10 | C11 | H23 | 179.4° | 180.0° |
| C11 | C12 | C13 | H22 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C12 | C11 | C10 | H4 | 179.4° | 180.0° |
| C11 | C12 | C13 | H5 | 179.3° | 180.0° |
| C9 | C8 | N3 | H3 | 180.0° | 179.9° |
| C9 | C8 | N3 | C7 | 0.9° | 0.0° |
| C8 | C9 | C14 | C13 | 177.1° | 180.0° |
| C8 | C9 | C14 | C6 | 1.2° | 0.1° |
| C8 | C9 | C10 | H4 | 3.5° | 0.0° |
| N3 | C8 | C9 | C14 | 0.1° | 0.0° |
| C8 | N3 | C7 | C6 | 0.4° | 0.0° |
| C8 | N3 | C7 | H2 | 179.6° | 180.0° |
| C9 | C14 | C13 | C12 | 0.2° | 0.1° |
| C9 | C14 | C13 | C6 | 178.2° | 179.9° |
| C9 | C14 | C6 | C7 | 1.7° | 0.1° |
| C9 | C14 | C6 | N2 | 172.9° | 180.0° |
| C14 | C9 | C8 | H3 | 180.0° | 179.9° |
| C14 | C9 | C10 | H4 | 178.9° | 180.0° |
| C9 | C14 | C13 | H5 | 179.8° | 180.0° |
| C12 | C13 | C14 | H5 | 180.0° | 179.9° |
| C12 | C13 | C14 | C6 | 178.0° | 180.0° |
| C13 | C12 | C11 | H23 | 179.7° | 180.0° |
| N3 | C7 | C6 | C14 | 0.9° | 0.0° |
| N3 | C7 | C6 | H2 | 180.0° | 180.0° |
| N3 | C7 | C6 | N2 | 173.4° | 180.0° |
| C7 | N3 | C8 | H3 | 179.1° | 180.0° |
| C13 | C14 | C6 | C7 | 176.5° | 180.0° |
| C13 | C14 | C6 | N2 | 8.9° | 0.1° |
| C14 | C13 | C12 | H22 | 179.3° | 180.0° |
| C14 | C6 | C7 | N2 | 174.3° | 180.0° |
| C14 | C6 | N2 | C5 | 97.7° | 170.1° |
| C14 | C6 | C7 | H2 | 179.1° | 180.0° |
| C6 | C14 | C13 | H5 | 2.0° | 0.1° |
| C14 | C6 | N2 | H21 | 82.3° | 9.9° |
| C7 | C6 | N2 | C5 | 76.5° | 9.8° |
| C7 | C6 | N2 | H21 | 103.5° | 170.1° |
| C6 | N2 | C5 | H21 | 180.0° | 179.9° |
| C6 | N2 | C5 | C4 | 177.5° | 176.2° |
| C6 | N2 | C5 | O2 | 0.7° | 3.8° |
| N2 | C6 | C7 | H2 | 6.6° | 0.0° |
| N2 | C5 | C4 | O2 | 178.2° | 180.0° |
| N2 | C5 | C4 | C3 | 78.5° | 78.0° |
| N2 | C5 | C4 | C15 | 159.1° | 160.8° |
| N2 | C5 | C4 | H1 | 40.9° | 41.5° |
| O | S | N1 | C3 | 15.3° | 17.6° |
| O | S | N1 | O1 | 130.7° | 132.9° |
| O | S | N1 | N | 115.3° | 113.5° |
| O | S | O1 | N | 126.2° | 123.0° |
| O | S | N1 | C21 | 175.7° | 162.8° |
| O | S | N | C1 | 37.5° | 166.5° |
| O | S | N | C2 | 139.8° | 13.5° |
| C5 | C4 | C3 | C15 | 121.5° | 120.2° |
| C5 | C4 | C3 | H1 | 119.4° | 119.3° |
| C5 | C4 | C3 | N1 | 73.2° | 72.7° |
| C5 | C4 | C15 | H1 | 118.0° | 119.3° |
| C5 | C4 | C15 | C16 | 79.3° | 79.7° |
| C5 | C4 | C15 | C20 | 98.5° | 100.2° |
| C5 | C4 | C3 | H19 | 47.4° | 167.7° |
| C5 | C4 | C3 | H20 | 166.2° | 46.9° |
| C4 | C5 | N2 | H21 | 2.6° | 3.7° |
| O2 | C5 | C4 | C3 | 99.7° | 102.0° |
| O2 | C5 | C4 | C15 | 22.8° | 19.2° |
| O2 | C5 | C4 | H1 | 140.9° | 138.5° |
| O2 | C5 | N2 | H21 | 179.3° | 176.3° |
| C4 | C3 | N1 | H19 | 120.6° | 119.7° |
| C4 | C3 | N1 | H20 | 120.6° | 119.7° |
| C3 | C4 | C15 | H1 | 119.1° | 120.7° |
| C4 | C3 | N1 | S | 134.5° | 115.4° |
| C4 | C3 | N1 | C21 | 55.5° | 64.2° |
| C3 | C4 | C15 | C16 | 157.8° | 160.3° |
| C3 | C4 | C15 | C20 | 24.5° | 19.8° |
| C4 | C3 | H19 | H20 | 118.1° | 120.8° |
| N1 | C3 | C4 | C15 | 48.3° | 47.5° |
| C3 | N1 | S | C21 | 169.0° | 179.6° |
| C3 | N1 | S | O1 | 115.4° | 150.5° |
| C3 | N1 | S | N | 130.7° | 95.9° |
| C3 | N1 | C21 | C20 | 33.9° | 44.1° |
| N1 | C3 | C4 | H1 | 167.4° | 168.0° |
| C3 | N1 | C21 | H6 | 154.4° | 164.2° |
| C3 | N1 | C21 | H7 | 86.7° | 75.9° |
| N1 | C3 | H19 | H20 | 118.2° | 120.7° |
| C4 | C15 | C16 | C20 | 177.8° | 180.0° |
| C4 | C15 | C16 | C17 | 175.2° | 179.5° |
| C4 | C15 | C20 | C21 | 5.8° | 0.7° |
| C4 | C15 | C20 | C19 | 175.4° | 179.2° |
| C4 | C15 | C16 | H8 | 4.8° | 0.5° |
| C15 | C4 | C3 | H19 | 168.9° | 72.2° |
| C15 | C4 | C3 | H20 | 72.3° | 167.1° |
| C | C1 | N | S | 102.5° | 95.0° |
| C | C1 | N | H14 | 120.5° | 120.0° |
| C | C1 | N | H15 | 120.4° | 120.1° |
| C | C1 | N | C2 | 74.9° | 85.0° |
| C | C1 | H14 | H15 | 118.6° | 120.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| N1 | S | O1 | N | 110.7° | 114.1° |
| N1 | S | N | C1 | 77.1° | 80.0° |
| N1 | S | N | C2 | 105.5° | 100.0° |
| S | N1 | C21 | C20 | 156.9° | 135.5° |
| S | N1 | C21 | H6 | 36.3° | 15.4° |
| S | N1 | C21 | H7 | 82.5° | 104.5° |
| S | N1 | C3 | H19 | 13.9° | 124.9° |
| S | N1 | C3 | H20 | 104.9° | 4.2° |
| O1 | S | N1 | C21 | 53.6° | 29.9° |
| O1 | S | N | C1 | 170.2° | 33.5° |
| O1 | S | N | C2 | 7.2° | 146.5° |
| N | S | N1 | C21 | 60.3° | 83.7° |
| S | N | C1 | C2 | 177.5° | 180.0° |
| S | N | C2 | H11 | 180.0° | 91.2° |
| S | N | C2 | H12 | 60.0° | 148.9° |
| S | N | C2 | H13 | 60.0° | 28.9° |
| S | N | C1 | H14 | 17.9° | 145.0° |
| S | N | C1 | H15 | 137.0° | 25.0° |
| N1 | C21 | C20 | C15 | 9.3° | 10.9° |
| N1 | C21 | C20 | H6 | 120.5° | 120.1° |
| N1 | C21 | C20 | H7 | 120.6° | 120.0° |
| N1 | C21 | C20 | C19 | 171.8° | 169.0° |
| N1 | C21 | H6 | H7 | 118.3° | 119.9° |
| C21 | N1 | C3 | H19 | 176.1° | 55.4° |
| C21 | N1 | C3 | H20 | 65.1° | 176.1° |
| C1 | N | C2 | H11 | 2.3° | 88.8° |
| C1 | N | C2 | H12 | 117.7° | 31.1° |
| C1 | N | C2 | H13 | 122.4° | 151.2° |
| N | C1 | H14 | H15 | 118.7° | 120.0° |
| N | C1 | C | H16 | 180.0° | 60.0° |
| N | C1 | C | H17 | 60.0° | 180.0° |
| N | C1 | C | H18 | 60.0° | 60.0° |
| C15 | C16 | C17 | H8 | 180.0° | 180.0° |
| C16 | C15 | C20 | C21 | 176.4° | 179.3° |
| C16 | C15 | C20 | C19 | 2.4° | 0.7° |
| C15 | C16 | C17 | CL | 179.3° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.1° |
| C16 | C15 | C4 | H1 | 38.7° | 39.6° |
| C20 | C15 | C16 | C17 | 2.5° | 0.4° |
| C15 | C20 | C21 | C19 | 178.8° | 180.0° |
| C15 | C20 | C19 | C18 | 0.2° | 0.5° |
| C20 | C15 | C4 | H1 | 143.5° | 140.5° |
| C15 | C20 | C21 | H6 | 129.9° | 131.1° |
| C15 | C20 | C21 | H7 | 111.2° | 109.0° |
| C20 | C15 | C16 | H8 | 177.5° | 179.5° |
| C15 | C20 | C19 | H10 | 179.8° | 179.5° |
| C16 | C17 | CL | C18 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 1.7° | 0.3° |
| C16 | C17 | C18 | H9 | 178.3° | 179.7° |
| N | C2 | H11 | H12 | 120.0° | 120.0° |
| N | C2 | H11 | H13 | 120.0° | 120.1° |
| N | C2 | H12 | H13 | 120.0° | 120.1° |
| C2 | N | C1 | H14 | 164.6° | 35.0° |
| C2 | N | C1 | H15 | 45.5° | 154.9° |
| C21 | C20 | C19 | C18 | 178.7° | 179.5° |
| C20 | C21 | H6 | H7 | 118.3° | 119.9° |
| C21 | C20 | C19 | H10 | 1.3° | 0.5° |
| C20 | C19 | C18 | C17 | 1.8° | 0.0° |
| C20 | C19 | C18 | H10 | 180.0° | 180.0° |
| C19 | C20 | C21 | H6 | 51.3° | 48.9° |
| C19 | C20 | C21 | H7 | 67.6° | 71.0° |
| C20 | C19 | C18 | H9 | 178.2° | 180.0° |
| CL | C17 | C18 | C19 | 178.5° | 179.8° |
| CL | C17 | C16 | H8 | 0.7° | 0.0° |
| CL | C17 | C18 | H9 | 1.5° | 0.2° |
| C17 | C18 | C19 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | H8 | 179.5° | 180.0° |
| C17 | C18 | C19 | H10 | 178.2° | 180.0° |
| H1 | C4 | C3 | H19 | 72.0° | 48.4° |
| H1 | C4 | C3 | H20 | 46.8° | 72.4° |
| H4 | C10 | C11 | H23 | 0.6° | 0.0° |
| H5 | C13 | C12 | H22 | 0.7° | 0.1° |
| H9 | C18 | C19 | H10 | 1.8° | 0.0° |
| H11 | C2 | H12 | H13 | 120.0° | 119.9° |
| H14 | C1 | C | H16 | 59.5° | 59.9° |
| H14 | C1 | C | H17 | 60.5° | 60.0° |
| H14 | C1 | C | H18 | 179.6° | 180.0° |
| H15 | C1 | C | H16 | 59.6° | 179.9° |
| H15 | C1 | C | H17 | 179.6° | 60.0° |
| H15 | C1 | C | H18 | 60.5° | 60.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
| H22 | C12 | C11 | H23 | 0.3° | 0.1° |
