RB2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C15 | sing | 1.43Å | 1.26Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C15 | O16 | sing | 1.43Å | 1.26Å | |
| C15 | C13 | sing | 1.53Å | 1.47Å | |
| C15 | H15 | sing | 1.09Å | 1.11Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C13 | O14 | sing | 1.43Å | 1.22Å | |
| C13 | N12 | sing | 1.47Å | 1.34Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| N12 | C6 | sing | 1.47Å | 1.38Å | |
| N12 | H12 | sing | 1.01Å | 1.02Å | |
| C6 | C5 | sing | 1.53Å | 1.39Å | |
| C6 | C1 | sing | 1.53Å | 1.41Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C5 | C8 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.39Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C8 | O10 | sing | 1.43Å | 1.23Å | |
| C8 | O9 | sing | 1.43Å | 1.45Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| O9 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C4 | C3 | sing | 1.53Å | 1.38Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C3 | CL | sing | 1.80Å | 1.79Å | |
| C3 | C2 | sing | 1.53Å | 1.38Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | sing | 1.53Å | 1.40Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O17 | H17 | 122.1° | 106.9° |
| O17 | C15 | O16 | 122.1° | 109.5° |
| O17 | C15 | C13 | 118.2° | 109.5° |
| O17 | C15 | H15 | 82.0° | 109.5° |
| O16 | C15 | C13 | 119.6° | 109.5° |
| O16 | C15 | H15 | 40.2° | 109.4° |
| C15 | O16 | H16 | 122.1° | 106.8° |
| C13 | C15 | H15 | 159.8° | 109.5° |
| C15 | C13 | O14 | 117.4° | 109.5° |
| C15 | C13 | N12 | 118.0° | 109.5° |
| C15 | C13 | H13 | 168.2° | 109.5° |
| O14 | C13 | N12 | 124.7° | 109.5° |
| O14 | C13 | H13 | 67.1° | 109.5° |
| C13 | O14 | H14 | 117.4° | 106.8° |
| N12 | C13 | H13 | 58.9° | 109.4° |
| C13 | N12 | C6 | 128.6° | 106.7° |
| C13 | N12 | H12 | 105.5° | 106.7° |
| C6 | N12 | H12 | 105.5° | 106.7° |
| N12 | C6 | C5 | 118.4° | 109.5° |
| N12 | C6 | C1 | 123.8° | 109.5° |
| N12 | C6 | H6 | 59.7° | 109.5° |
| C5 | C6 | C1 | 117.8° | 109.5° |
| C5 | C6 | H6 | 156.8° | 109.5° |
| C6 | C5 | C8 | 123.0° | 109.5° |
| C6 | C5 | C4 | 121.4° | 109.5° |
| C6 | C5 | H5 | 12.7° | 109.5° |
| C1 | C6 | H6 | 69.4° | 109.5° |
| C6 | C1 | C2 | 120.5° | 109.5° |
| C6 | C1 | H11 | 108.3° | 109.5° |
| C6 | C1 | H12A | 108.3° | 109.5° |
| C8 | C5 | C4 | 115.5° | 109.5° |
| C8 | C5 | H5 | 110.5° | 109.4° |
| C5 | C8 | O10 | 119.9° | 109.5° |
| C5 | C8 | O9 | 121.4° | 109.4° |
| C5 | C8 | H8 | 49.3° | 109.4° |
| C4 | C5 | H5 | 133.9° | 109.5° |
| C5 | C4 | C3 | 120.0° | 109.5° |
| C5 | C4 | H41 | 108.5° | 109.5° |
| C5 | C4 | H42 | 108.5° | 109.5° |
| O10 | C8 | O9 | 118.7° | 109.5° |
| O10 | C8 | H8 | 135.9° | 109.5° |
| C8 | O10 | H10 | 119.9° | 106.7° |
| O9 | C8 | H8 | 87.9° | 109.4° |
| C8 | O9 | C11 | 117.0° | 106.8° |
| O9 | C11 | H111 | 109.5° | 109.5° |
| O9 | C11 | H112 | 117.0° | 109.5° |
| O9 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 100.6° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| C3 | C4 | H41 | 108.5° | 109.5° |
| C3 | C4 | H42 | 108.4° | 109.5° |
| C4 | C3 | CL | 117.5° | 109.5° |
| C4 | C3 | C2 | 120.2° | 109.4° |
| C4 | C3 | H3 | 147.0° | 109.5° |
| H41 | C4 | H42 | 101.5° | 109.4° |
| CL | C3 | C2 | 122.3° | 109.4° |
| CL | C3 | H3 | 95.2° | 109.5° |
| C2 | C3 | H3 | 27.5° | 109.5° |
| C3 | C2 | C1 | 120.2° | 109.4° |
| C3 | C2 | H21 | 108.4° | 109.5° |
| C3 | C2 | H22 | 108.4° | 109.5° |
| C1 | C2 | H21 | 108.4° | 109.5° |
| C1 | C2 | H22 | 108.4° | 109.5° |
| C2 | C1 | H11 | 108.3° | 109.5° |
| C2 | C1 | H12A | 108.2° | 109.4° |
| H21 | C2 | H22 | 101.5° | 109.5° |
| H11 | C1 | H12A | 101.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C15 | O16 | C13 | 180.0° | 120.0° |
| O17 | C15 | O16 | H15 | 0.4° | 120.0° |
| O17 | C15 | C13 | H15 | 179.4° | 120.0° |
| O17 | C15 | O16 | H16 | 180.0° | 60.1° |
| O17 | C15 | C13 | O14 | 25.7° | 180.0° |
| O17 | C15 | C13 | N12 | 153.4° | 60.0° |
| O17 | C15 | C13 | H13 | 135.1° | 60.0° |
| H17 | O17 | C15 | O16 | 180.0° | 60.0° |
| H17 | O17 | C15 | C13 | 0.0° | 60.0° |
| H17 | O17 | C15 | H15 | 179.7° | 180.0° |
| O16 | C15 | C13 | H15 | 0.7° | 120.0° |
| O16 | C15 | C13 | O14 | 154.3° | 60.0° |
| O16 | C15 | C13 | N12 | 26.6° | 180.0° |
| O16 | C15 | C13 | H13 | 44.9° | 60.0° |
| C13 | C15 | O16 | H16 | 0.0° | 179.9° |
| C15 | C13 | O14 | N12 | 179.0° | 120.0° |
| C15 | C13 | O14 | H13 | 167.9° | 120.0° |
| C15 | C13 | N12 | H13 | 166.9° | 120.0° |
| C15 | C13 | O14 | H14 | 180.0° | 60.0° |
| C15 | C13 | N12 | C6 | 178.9° | 140.0° |
| C15 | C13 | N12 | H12 | 53.6° | 106.3° |
| H15 | C15 | O16 | H16 | 179.7° | 59.9° |
| H15 | C15 | C13 | O14 | 153.7° | 60.0° |
| H15 | C15 | C13 | N12 | 27.2° | 60.0° |
| H15 | C15 | C13 | H13 | 44.3° | 180.0° |
| O14 | C13 | N12 | H13 | 14.1° | 120.0° |
| O14 | C13 | N12 | C6 | 0.2° | 100.0° |
| O14 | C13 | N12 | H12 | 125.5° | 13.8° |
| N12 | C13 | O14 | H14 | 0.9° | 60.0° |
| C13 | N12 | C6 | H12 | 125.3° | 113.8° |
| C13 | N12 | C6 | C5 | 179.5° | 158.3° |
| C13 | N12 | C6 | C1 | 1.2° | 81.7° |
| C13 | N12 | C6 | H6 | 27.0° | 38.4° |
| H13 | C13 | O14 | H14 | 12.1° | 180.0° |
| H13 | C13 | N12 | C6 | 14.2° | 20.0° |
| H13 | C13 | N12 | H12 | 139.5° | 133.8° |
| N12 | C6 | C5 | C1 | 178.4° | 120.0° |
| N12 | C6 | C5 | H6 | 78.8° | 120.0° |
| N12 | C6 | C1 | H6 | 25.9° | 120.0° |
| N12 | C6 | C5 | C8 | 1.3° | 60.0° |
| N12 | C6 | C5 | C4 | 178.9° | 180.0° |
| N12 | C6 | C5 | H5 | 9.3° | 60.0° |
| N12 | C6 | C1 | C2 | 179.7° | 180.0° |
| N12 | C6 | C1 | H11 | 54.4° | 60.0° |
| N12 | C6 | C1 | H12A | 55.1° | 60.0° |
| H12 | N12 | C6 | C5 | 55.2° | 44.6° |
| H12 | N12 | C6 | C1 | 126.5° | 164.6° |
| H12 | N12 | C6 | H6 | 98.3° | 75.4° |
| C5 | C6 | C1 | H6 | 155.8° | 120.0° |
| C6 | C5 | C8 | C4 | 179.8° | 120.0° |
| C6 | C5 | C8 | H5 | 2.5° | 120.0° |
| C6 | C5 | C4 | H5 | 3.2° | 120.0° |
| C6 | C5 | C8 | O10 | 174.0° | 178.7° |
| C6 | C5 | C8 | O9 | 4.8° | 61.3° |
| C6 | C5 | C8 | H8 | 59.2° | 58.6° |
| C6 | C5 | C4 | C3 | 0.1° | 60.0° |
| C6 | C5 | C4 | H41 | 125.3° | 180.0° |
| C6 | C5 | C4 | H42 | 125.2° | 60.0° |
| C5 | C6 | C1 | C2 | 1.4° | 60.0° |
| C5 | C6 | C1 | H11 | 123.9° | 60.0° |
| C5 | C6 | C1 | H12A | 126.6° | 180.0° |
| C1 | C6 | C5 | C8 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 60.0° |
| C1 | C6 | C5 | H5 | 169.1° | 60.0° |
| C6 | C1 | C2 | C3 | 1.7° | 60.1° |
| C6 | C1 | C2 | H11 | 125.3° | 120.0° |
| C6 | C1 | C2 | H12A | 125.3° | 120.0° |
| C6 | C1 | C2 | H21 | 123.5° | 180.0° |
| C6 | C1 | C2 | H22 | 127.0° | 60.0° |
| C6 | C1 | H11 | H12A | 113.9° | 120.1° |
| H6 | C6 | C5 | C8 | 77.5° | 60.0° |
| H6 | C6 | C5 | C4 | 102.3° | 60.0° |
| H6 | C6 | C5 | H5 | 88.2° | NaN° |
| H6 | C6 | C1 | C2 | 154.4° | 59.9° |
| H6 | C6 | C1 | H11 | 80.3° | 179.9° |
| H6 | C6 | C1 | H12A | 29.2° | 60.0° |
| C8 | C5 | C4 | H5 | 177.0° | 120.0° |
| C5 | C8 | O10 | O9 | 178.8° | 120.0° |
| C5 | C8 | O10 | H8 | 60.9° | 120.0° |
| C5 | C8 | O9 | H8 | 38.1° | 119.9° |
| C5 | C8 | O10 | H10 | 180.0° | 60.0° |
| C5 | C8 | O9 | C11 | 158.5° | 170.0° |
| C8 | C5 | C4 | C3 | 179.8° | 179.9° |
| C8 | C5 | C4 | H41 | 54.5° | 59.9° |
| C8 | C5 | C4 | H42 | 55.0° | 60.0° |
| C4 | C5 | C8 | O10 | 5.8° | 61.3° |
| C4 | C5 | C8 | O9 | 175.4° | 58.8° |
| C4 | C5 | C8 | H8 | 121.0° | 178.6° |
| C5 | C4 | C3 | H41 | 125.3° | 120.0° |
| C5 | C4 | C3 | H42 | 125.3° | 120.1° |
| C5 | C4 | H41 | H42 | 114.1° | 120.0° |
| C5 | C4 | C3 | CL | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 60.0° |
| C5 | C4 | C3 | H3 | 8.7° | 59.9° |
| H5 | C5 | C8 | O10 | 176.5° | 58.7° |
| H5 | C5 | C8 | O9 | 2.3° | 178.8° |
| H5 | C5 | C8 | H8 | 56.7° | 61.3° |
| H5 | C5 | C4 | C3 | 3.2° | 59.9° |
| H5 | C5 | C4 | H41 | 128.5° | 60.1° |
| H5 | C5 | C4 | H42 | 122.0° | NaN° |
| O10 | C8 | O9 | H8 | 143.1° | 120.1° |
| O10 | C8 | O9 | C11 | 20.3° | 70.0° |
| O9 | C8 | O10 | H10 | 1.2° | 60.0° |
| C8 | O9 | C11 | H111 | 54.7° | 59.9° |
| C8 | O9 | C11 | H112 | 180.0° | 60.0° |
| C8 | O9 | C11 | H113 | 54.7° | 180.0° |
| H8 | C8 | O10 | H10 | 119.1° | 180.0° |
| H8 | C8 | O9 | C11 | 163.4° | 50.1° |
| O9 | C11 | H111 | H112 | 129.5° | 120.0° |
| O9 | C11 | H111 | H113 | 115.3° | 120.0° |
| O9 | C11 | H112 | H113 | 125.3° | 120.0° |
| H111 | C11 | H112 | H113 | 109.4° | 120.0° |
| C3 | C4 | H41 | H42 | 114.1° | 120.0° |
| C4 | C3 | CL | C2 | 179.8° | 119.9° |
| C4 | C3 | CL | H3 | 175.2° | 120.1° |
| C4 | C3 | C2 | H3 | 169.4° | 120.0° |
| C4 | C3 | C2 | C1 | 1.2° | 60.0° |
| C4 | C3 | C2 | H21 | 124.1° | 180.0° |
| C4 | C3 | C2 | H22 | 126.5° | 60.0° |
| H41 | C4 | C3 | CL | 54.8° | 60.0° |
| H41 | C4 | C3 | C2 | 125.0° | 179.9° |
| H41 | C4 | C3 | H3 | 134.0° | 60.1° |
| H42 | C4 | C3 | CL | 54.7° | 59.9° |
| H42 | C4 | C3 | C2 | 125.5° | 60.0° |
| H42 | C4 | C3 | H3 | 116.6° | 180.0° |
| CL | C3 | C2 | H3 | 10.9° | 120.0° |
| CL | C3 | C2 | C1 | 179.1° | 180.0° |
| CL | C3 | C2 | H21 | 55.7° | 60.0° |
| CL | C3 | C2 | H22 | 53.8° | 60.0° |
| C3 | C2 | C1 | H21 | 125.3° | 120.0° |
| C3 | C2 | C1 | H22 | 125.3° | 120.0° |
| C3 | C2 | H21 | H22 | 114.0° | 120.1° |
| C3 | C2 | C1 | H11 | 123.5° | 60.0° |
| C3 | C2 | C1 | H12A | 127.0° | 180.0° |
| H3 | C3 | C2 | C1 | 168.2° | 60.0° |
| H3 | C3 | C2 | H21 | 66.5° | 60.0° |
| H3 | C3 | C2 | H22 | 42.9° | 180.0° |
| C1 | C2 | H21 | H22 | 114.0° | 120.0° |
| C2 | C1 | H11 | H12A | 113.9° | 119.9° |
| H21 | C2 | C1 | H11 | 111.2° | 60.0° |
| H21 | C2 | C1 | H12A | 1.7° | 60.0° |
| H22 | C2 | C1 | H11 | 1.8° | 180.0° |
| H22 | C2 | C1 | H12A | 107.7° | 60.0° |
