BA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | sing | 1.43Å | 1.49Å | |
| C6 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C | sing | 1.53Å | 1.54Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | O | sing | 1.43Å | 1.43Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O1 | sing | 1.43Å | 1.41Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | C4 | 113.5° | 109.5° |
| C6 | O2 | H1 | 109.5° | 114.0° |
| O2 | C6 | H2 | 108.5° | 109.5° |
| O2 | C6 | H3 | 108.4° | 109.4° |
| C6 | C4 | C2 | 125.4° | 109.5° |
| C4 | C6 | H2 | 108.5° | 109.5° |
| C4 | C6 | H3 | 108.5° | 109.5° |
| C6 | C4 | H4 | 105.3° | 109.5° |
| C6 | C4 | H5 | 105.3° | 109.4° |
| C4 | C2 | C | 107.0° | 109.5° |
| C2 | C4 | H4 | 105.4° | 109.5° |
| C2 | C4 | H5 | 105.4° | 109.5° |
| C4 | C2 | H6 | 110.1° | 109.5° |
| C4 | C2 | H7 | 110.1° | 109.5° |
| C2 | C | C1 | 121.0° | 109.4° |
| C | C2 | H6 | 110.1° | 109.5° |
| C | C2 | H7 | 110.1° | 109.5° |
| C2 | C | H8 | 106.5° | 109.5° |
| C2 | C | H9 | 106.5° | 109.4° |
| C | C1 | C3 | 103.9° | 109.4° |
| C1 | C | H8 | 106.5° | 109.5° |
| C1 | C | H9 | 106.5° | 109.5° |
| C | C1 | H10 | 110.9° | 109.4° |
| C | C1 | H11 | 110.8° | 109.5° |
| C1 | C3 | O | 112.9° | 109.4° |
| C1 | C3 | C5 | 114.7° | 109.5° |
| C3 | C1 | H10 | 110.8° | 109.4° |
| C3 | C1 | H11 | 110.8° | 109.4° |
| C1 | C3 | H12 | 104.4° | 109.5° |
| O | C3 | C5 | 113.1° | 109.5° |
| O | C3 | H12 | 105.7° | 109.5° |
| C3 | O | H13 | 109.5° | 114.0° |
| C3 | C5 | O1 | 111.4° | 109.5° |
| C5 | C3 | H12 | 104.9° | 109.5° |
| C3 | C5 | H14 | 109.0° | 109.4° |
| C3 | C5 | H15 | 109.0° | 109.5° |
| O1 | C5 | H14 | 109.0° | 109.5° |
| O1 | C5 | H15 | 109.0° | 109.5° |
| C5 | O1 | H16 | 109.5° | 114.0° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H8 | C | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | C4 | H2 | 120.6° | 120.0° |
| O2 | C6 | C4 | H3 | 120.6° | 119.9° |
| O2 | C6 | C4 | C2 | 138.6° | 180.0° |
| O2 | C6 | H2 | H3 | 118.2° | 120.0° |
| O2 | C6 | C4 | H4 | 16.5° | 60.0° |
| O2 | C6 | C4 | H5 | 99.2° | 60.0° |
| C6 | C4 | C2 | H4 | 122.1° | 120.0° |
| C6 | C4 | C2 | H5 | 122.2° | 120.0° |
| C6 | C4 | C2 | C | 167.0° | 180.0° |
| C4 | C6 | O2 | H1 | 180.0° | 180.0° |
| C4 | C6 | H2 | H3 | 118.2° | 120.0° |
| C6 | C4 | H4 | H5 | 112.8° | 119.9° |
| C6 | C4 | C2 | H6 | 73.3° | 60.0° |
| C6 | C4 | C2 | H7 | 47.4° | 60.0° |
| C4 | C2 | C | H6 | 119.6° | 120.0° |
| C4 | C2 | C | H7 | 119.6° | 120.1° |
| C4 | C2 | C | C1 | 145.5° | 180.0° |
| C2 | C4 | C6 | H2 | 100.8° | 60.0° |
| C2 | C4 | C6 | H3 | 18.0° | 60.0° |
| C2 | C4 | H4 | H5 | 112.9° | 120.0° |
| C4 | C2 | H6 | H7 | 121.1° | 120.0° |
| C4 | C2 | C | H8 | 92.8° | 60.0° |
| C4 | C2 | C | H9 | 23.9° | 60.0° |
| C2 | C | C1 | H8 | 121.6° | 120.0° |
| C2 | C | C1 | H9 | 121.6° | 120.0° |
| C2 | C | C1 | C3 | 156.8° | 180.0° |
| C | C2 | C4 | H4 | 44.9° | 60.0° |
| C | C2 | C4 | H5 | 70.8° | 60.0° |
| C | C2 | H6 | H7 | 121.2° | 120.0° |
| C2 | C | H8 | H9 | 114.8° | 120.0° |
| C2 | C | C1 | H10 | 84.1° | 60.1° |
| C2 | C | C1 | H11 | 37.7° | 60.0° |
| C | C1 | C3 | H10 | 119.1° | 119.9° |
| C | C1 | C3 | H11 | 119.1° | 120.0° |
| C | C1 | C3 | O | 113.3° | 65.0° |
| C | C1 | C3 | C5 | 115.2° | 175.0° |
| C1 | C | C2 | H6 | 25.9° | 60.0° |
| C1 | C | C2 | H7 | 94.9° | 59.9° |
| C1 | C | H8 | H9 | 114.8° | 120.1° |
| C | C1 | H10 | H11 | 122.6° | 120.1° |
| C | C1 | C3 | H12 | 1.0° | 55.0° |
| C1 | C3 | O | C5 | 132.2° | 120.0° |
| C1 | C3 | O | H12 | 113.5° | 120.0° |
| C1 | C3 | C5 | H12 | 113.9° | 120.0° |
| C1 | C3 | C5 | O1 | 177.1° | 175.0° |
| C3 | C1 | C | H8 | 35.2° | 60.0° |
| C3 | C1 | C | H9 | 81.6° | 60.0° |
| C3 | C1 | H10 | H11 | 122.6° | 120.0° |
| C1 | C3 | O | H13 | 180.0° | 60.0° |
| C1 | C3 | C5 | H14 | 62.6° | 54.9° |
| C1 | C3 | C5 | H15 | 56.8° | 65.0° |
| O | C3 | C5 | H12 | 114.7° | 120.0° |
| O | C3 | C5 | O1 | 45.7° | 65.0° |
| O | C3 | C1 | H10 | 127.6° | 175.0° |
| O | C3 | C1 | H11 | 5.8° | 55.0° |
| O | C3 | C5 | H14 | 166.0° | 174.9° |
| O | C3 | C5 | H15 | 74.6° | 55.0° |
| C3 | C5 | O1 | H14 | 120.3° | 120.0° |
| C3 | C5 | O1 | H15 | 120.3° | 120.0° |
| C5 | C3 | C1 | H10 | 3.9° | 55.1° |
| C5 | C3 | C1 | H11 | 125.7° | 65.0° |
| C5 | C3 | O | H13 | 47.7° | 60.0° |
| C3 | C5 | H14 | H15 | 119.1° | 119.9° |
| C3 | C5 | O1 | H16 | 180.0° | 180.0° |
| O1 | C5 | C3 | H12 | 69.0° | 55.0° |
| O1 | C5 | H14 | H15 | 119.1° | 120.0° |
| H1 | O2 | C6 | H2 | 59.4° | 60.0° |
| H1 | O2 | C6 | H3 | 59.4° | 60.0° |
| H2 | C6 | C4 | H4 | 137.1° | 180.0° |
| H2 | C6 | C4 | H5 | 21.4° | 60.1° |
| H3 | C6 | C4 | H4 | 104.1° | 60.0° |
| H3 | C6 | C4 | H5 | 140.2° | 179.9° |
| H4 | C4 | C2 | H6 | 164.5° | 180.0° |
| H4 | C4 | C2 | H7 | 74.7° | 60.0° |
| H5 | C4 | C2 | H6 | 48.8° | 60.0° |
| H5 | C4 | C2 | H7 | 169.6° | 180.0° |
| H6 | C2 | C | H8 | 147.5° | 180.0° |
| H6 | C2 | C | H9 | 95.7° | 60.0° |
| H7 | C2 | C | H8 | 26.7° | 60.0° |
| H7 | C2 | C | H9 | 143.5° | 180.0° |
| H8 | C | C1 | H10 | 154.3° | 180.0° |
| H8 | C | C1 | H11 | 83.9° | 59.9° |
| H9 | C | C1 | H10 | 37.5° | 59.9° |
| H9 | C | C1 | H11 | 159.3° | 180.0° |
| H10 | C1 | C3 | H12 | 118.1° | 65.0° |
| H11 | C1 | C3 | H12 | 120.1° | 175.0° |
| H12 | C3 | O | H13 | 66.5° | 180.0° |
| H12 | C3 | C5 | H14 | 51.3° | 65.1° |
| H12 | C3 | C5 | H15 | 170.7° | 175.0° |
| H14 | C5 | O1 | H16 | 59.7° | 60.0° |
| H15 | C5 | O1 | H16 | 59.7° | 60.0° |
