RB7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | S | sing | 1.81Å | 1.73Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| S | C9 | sing | 1.81Å | 1.72Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N | sing | 1.47Å | 1.48Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | BR | sing | 1.89Å | 1.90Å | |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | S | O | 109.2° | 108.6° |
| C10 | S | C9 | 104.2° | 101.9° |
| C10 | S | O1 | 108.7° | 108.6° |
| S | C10 | H9 | 109.5° | 109.5° |
| S | C10 | H10 | 109.5° | 109.5° |
| S | C10 | H11 | 109.5° | 109.5° |
| O | S | C9 | 108.6° | 108.6° |
| O | S | O1 | 116.9° | 119.2° |
| C9 | S | O1 | 108.5° | 108.6° |
| S | C9 | C8 | 113.6° | 109.5° |
| S | C9 | H7 | 108.4° | 109.4° |
| S | C9 | H8 | 108.4° | 109.5° |
| C9 | C8 | N | 111.4° | 109.4° |
| C9 | C8 | H5 | 109.0° | 109.5° |
| C9 | C8 | H6 | 109.0° | 109.4° |
| C8 | C9 | H7 | 108.4° | 109.5° |
| C8 | C9 | H8 | 108.4° | 109.5° |
| C8 | N | C7 | 112.0° | 110.9° |
| N | C8 | H5 | 109.0° | 109.5° |
| N | C8 | H6 | 109.0° | 109.5° |
| C8 | N | H12 | 108.8° | 111.0° |
| N | C7 | C3 | 111.8° | 109.5° |
| N | C7 | H3 | 108.9° | 109.5° |
| N | C7 | H4 | 108.9° | 109.5° |
| C7 | N | H12 | 108.8° | 111.0° |
| C | C1 | C2 | 120.1° | 120.0° |
| C | C1 | C6 | 123.3° | 120.0° |
| C1 | C | H15 | 109.5° | 109.4° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.4° |
| C1 | C2 | C3 | 122.3° | 120.0° |
| C2 | C1 | C6 | 116.6° | 120.0° |
| C1 | C2 | H14 | 118.8° | 120.1° |
| C2 | C3 | C7 | 122.7° | 120.0° |
| C2 | C3 | C4 | 118.3° | 120.0° |
| C3 | C2 | H14 | 118.8° | 119.9° |
| C1 | C6 | BR | 120.2° | 120.0° |
| C1 | C6 | C5 | 122.4° | 120.0° |
| C7 | C3 | C4 | 119.0° | 119.9° |
| C3 | C7 | H3 | 108.9° | 109.5° |
| C3 | C7 | H4 | 108.9° | 109.4° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C3 | C4 | H1 | 119.5° | 120.0° |
| BR | C6 | C5 | 117.3° | 120.0° |
| C6 | C5 | C4 | 119.5° | 120.0° |
| C6 | C5 | H2 | 120.3° | 120.0° |
| C5 | C4 | H1 | 119.5° | 120.0° |
| C4 | C5 | H2 | 120.3° | 120.0° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.4° | 109.4° |
| H15 | C | H16 | 109.4° | 109.5° |
| H15 | C | H17 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | S | O | C9 | 113.1° | 110.1° |
| C10 | S | O | O1 | 123.8° | 125.0° |
| C10 | S | C9 | O1 | 115.6° | 114.5° |
| C10 | S | C9 | C8 | 174.4° | 180.0° |
| C10 | S | C9 | H7 | 64.9° | 60.0° |
| C10 | S | C9 | H8 | 53.8° | 59.9° |
| S | C10 | H9 | H10 | 120.0° | 120.1° |
| S | C10 | H9 | H11 | 120.0° | 120.0° |
| S | C10 | H10 | H11 | 120.0° | 120.0° |
| O | S | C9 | O1 | 128.0° | 131.0° |
| O | S | C9 | C8 | 69.2° | 65.5° |
| O | S | C9 | H7 | 51.4° | 54.5° |
| O | S | C9 | H8 | 170.2° | 174.4° |
| O | S | C10 | H9 | 180.0° | 174.4° |
| O | S | C10 | H10 | 60.0° | 65.5° |
| O | S | C10 | H11 | 60.0° | 54.4° |
| S | C9 | C8 | H7 | 120.6° | 120.0° |
| S | C9 | C8 | H8 | 120.6° | 120.1° |
| S | C9 | C8 | N | 174.5° | 180.0° |
| S | C9 | C8 | H5 | 65.3° | 60.0° |
| S | C9 | C8 | H6 | 54.2° | 60.0° |
| S | C9 | H7 | H8 | 118.1° | 120.0° |
| C9 | S | C10 | H9 | 64.1° | 59.9° |
| C9 | S | C10 | H10 | 55.9° | 180.0° |
| C9 | S | C10 | H11 | 175.9° | 60.0° |
| O1 | S | C9 | C8 | 58.8° | 65.5° |
| O1 | S | C9 | H7 | 179.4° | 174.5° |
| O1 | S | C9 | H8 | 61.8° | 54.6° |
| O1 | S | C10 | H9 | 51.5° | 54.5° |
| O1 | S | C10 | H10 | 171.5° | 65.5° |
| O1 | S | C10 | H11 | 68.6° | 174.5° |
| C9 | C8 | N | H5 | 120.3° | 120.0° |
| C9 | C8 | N | H6 | 120.3° | 119.9° |
| C9 | C8 | N | C7 | 177.2° | 180.0° |
| C9 | C8 | H5 | H6 | 119.1° | 119.9° |
| C8 | C9 | H7 | H8 | 118.1° | 120.0° |
| C9 | C8 | N | H12 | 62.4° | 56.1° |
| C8 | N | C7 | H12 | 120.4° | 123.9° |
| C8 | N | C7 | C3 | 65.6° | 179.9° |
| C8 | N | C7 | H3 | 174.1° | 60.0° |
| C8 | N | C7 | H4 | 54.8° | 60.0° |
| N | C8 | H5 | H6 | 119.2° | 120.1° |
| N | C8 | C9 | H7 | 53.9° | 60.0° |
| N | C8 | C9 | H8 | 64.9° | 60.0° |
| N | C7 | C3 | C2 | 93.7° | 89.9° |
| N | C7 | C3 | H3 | 120.4° | 120.1° |
| N | C7 | C3 | H4 | 120.3° | 120.0° |
| N | C7 | C3 | C4 | 85.9° | 90.0° |
| N | C7 | H3 | H4 | 118.9° | 120.1° |
| C7 | N | C8 | H5 | 56.9° | 60.0° |
| C7 | N | C8 | H6 | 62.5° | 60.0° |
| C | C1 | C2 | C6 | 177.5° | 179.3° |
| C | C1 | C2 | C3 | 177.6° | 180.0° |
| C | C1 | C6 | BR | 1.7° | 0.2° |
| C | C1 | C6 | C5 | 176.7° | 179.7° |
| C | C1 | C2 | H14 | 2.4° | 0.8° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H17 | 120.0° | 119.9° |
| C1 | C | H16 | H17 | 120.0° | 119.9° |
| C1 | C2 | C3 | H14 | 180.0° | 179.1° |
| C1 | C2 | C3 | C7 | 178.7° | 179.4° |
| C1 | C2 | C3 | C4 | 0.9° | 0.5° |
| C2 | C1 | C6 | BR | 179.1° | 179.4° |
| C2 | C1 | C6 | C5 | 0.7° | 0.5° |
| C2 | C1 | C | H15 | 88.8° | 90.0° |
| C2 | C1 | C | H16 | 151.3° | 150.0° |
| C2 | C1 | C | H17 | 31.3° | 30.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.8° |
| C2 | C3 | C7 | C4 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C2 | C3 | C4 | H1 | 179.1° | 179.7° |
| C2 | C3 | C7 | H3 | 26.7° | 150.0° |
| C2 | C3 | C7 | H4 | 146.0° | 30.1° |
| C1 | C6 | BR | C5 | 178.5° | 179.9° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C1 | C6 | C5 | H2 | 179.3° | 180.0° |
| C6 | C1 | C2 | H14 | 179.9° | 179.9° |
| C6 | C1 | C | H15 | 88.5° | 90.7° |
| C6 | C1 | C | H16 | 31.4° | 29.3° |
| C6 | C1 | C | H17 | 151.4° | 149.3° |
| C7 | C3 | C4 | C5 | 178.7° | 180.0° |
| C7 | C3 | C4 | H1 | 1.3° | 0.3° |
| C3 | C7 | H3 | H4 | 118.9° | 119.9° |
| C3 | C7 | N | H12 | 54.8° | 56.0° |
| C7 | C3 | C2 | H14 | 1.3° | 0.3° |
| C3 | C4 | C5 | C6 | 0.1° | 0.4° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 179.9° | 179.7° |
| C4 | C3 | C7 | H3 | 153.7° | 30.1° |
| C4 | C3 | C7 | H4 | 34.4° | 150.0° |
| C4 | C3 | C2 | H14 | 179.1° | 179.6° |
| BR | C6 | C5 | C4 | 179.1° | 180.0° |
| BR | C6 | C5 | H2 | 0.8° | 0.1° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.9° | 179.9° |
| H1 | C4 | C5 | H2 | 0.1° | 0.0° |
| H3 | C7 | N | H12 | 65.6° | 176.1° |
| H4 | C7 | N | H12 | 175.2° | 63.9° |
| H5 | C8 | C9 | H7 | 174.1° | 60.0° |
| H5 | C8 | C9 | H8 | 55.3° | 179.9° |
| H5 | C8 | N | H12 | 177.3° | 176.1° |
| H6 | C8 | C9 | H7 | 66.4° | 180.0° |
| H6 | C8 | C9 | H8 | 174.8° | 60.1° |
| H6 | C8 | N | H12 | 57.8° | 63.9° |
| H9 | C10 | H10 | H11 | 120.0° | 119.9° |
| H15 | C | H16 | H17 | 120.0° | 120.1° |
