B0S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | B1 | sing | 1.42Å | 1.48Å | |
| B1 | O2 | sing | 1.42Å | 1.46Å | |
| B1 | C13 | sing | 1.57Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.49Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | B1 | O2 | 109.1° | 120.0° |
| O3 | B1 | C13 | 113.8° | 120.0° |
| B1 | O3 | H29 | 109.5° | 114.0° |
| O2 | B1 | C13 | 118.6° | 120.0° |
| B1 | O2 | H28 | 109.5° | 114.1° |
| B1 | C13 | C12 | 111.0° | 109.5° |
| B1 | C13 | H26 | 109.1° | 109.5° |
| B1 | C13 | H27 | 109.1° | 109.4° |
| C13 | C12 | C11 | 108.7° | 109.5° |
| C13 | C12 | H24 | 109.7° | 109.5° |
| C13 | C12 | H25 | 109.7° | 109.5° |
| C12 | C13 | H26 | 109.1° | 109.5° |
| C12 | C13 | H27 | 109.1° | 109.4° |
| C12 | C11 | C10 | 110.8° | 109.5° |
| C12 | C11 | H22 | 109.1° | 109.4° |
| C12 | C11 | H23 | 109.1° | 109.5° |
| C11 | C12 | H24 | 109.7° | 109.5° |
| C11 | C12 | H25 | 109.7° | 109.5° |
| C11 | C10 | C9 | 107.8° | 109.5° |
| C11 | C10 | H20 | 109.9° | 109.4° |
| C11 | C10 | H21 | 109.9° | 109.5° |
| C10 | C11 | H22 | 109.1° | 109.4° |
| C10 | C11 | H23 | 109.1° | 109.5° |
| C10 | C9 | C8 | 111.7° | 109.5° |
| C10 | C9 | H18 | 108.9° | 109.4° |
| C10 | C9 | H19 | 108.9° | 109.5° |
| C9 | C10 | H20 | 109.9° | 109.5° |
| C9 | C10 | H21 | 109.9° | 109.5° |
| C9 | C8 | C7 | 115.9° | 109.5° |
| C9 | C8 | H16 | 107.8° | 109.4° |
| C9 | C8 | H17 | 107.9° | 109.5° |
| C8 | C9 | H18 | 108.9° | 109.4° |
| C8 | C9 | H19 | 108.9° | 109.5° |
| C8 | C7 | C6 | 110.0° | 109.5° |
| C8 | C7 | H14 | 109.3° | 109.4° |
| C8 | C7 | H15 | 109.4° | 109.5° |
| C7 | C8 | H16 | 107.8° | 109.5° |
| C7 | C8 | H17 | 107.8° | 109.5° |
| C7 | C6 | C5 | 117.8° | 109.5° |
| C7 | C6 | H12 | 107.3° | 109.5° |
| C7 | C6 | H13 | 107.4° | 109.5° |
| C6 | C7 | H14 | 109.3° | 109.4° |
| C6 | C7 | H15 | 109.3° | 109.5° |
| C6 | C5 | C4 | 112.2° | 109.5° |
| C6 | C5 | H10 | 108.8° | 109.4° |
| C6 | C5 | H11 | 108.8° | 109.5° |
| C5 | C6 | H12 | 107.4° | 109.5° |
| C5 | C6 | H13 | 107.3° | 109.5° |
| C5 | C4 | C3 | 113.0° | 109.5° |
| C5 | C4 | H8 | 108.6° | 109.5° |
| C5 | C4 | H9 | 108.6° | 109.5° |
| C4 | C5 | H10 | 108.8° | 109.4° |
| C4 | C5 | H11 | 108.8° | 109.5° |
| C4 | C3 | C2 | 113.4° | 109.5° |
| C4 | C3 | H6 | 108.5° | 109.4° |
| C4 | C3 | H7 | 108.5° | 109.5° |
| C3 | C4 | H8 | 108.6° | 109.5° |
| C3 | C4 | H9 | 108.6° | 109.5° |
| C3 | C2 | C1 | 112.3° | 109.4° |
| C3 | C2 | H4 | 108.7° | 109.4° |
| C3 | C2 | H5 | 108.8° | 109.5° |
| C2 | C3 | H6 | 108.5° | 109.4° |
| C2 | C3 | H7 | 108.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 108.8° | 109.4° |
| C1 | C2 | H5 | 108.8° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.4° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.4° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | B1 | O2 | C13 | 132.5° | 180.0° |
| O3 | B1 | C13 | C12 | 176.3° | 180.0° |
| O3 | B1 | C13 | H26 | 63.5° | 60.0° |
| O3 | B1 | C13 | H27 | 56.1° | 60.0° |
| O3 | B1 | O2 | H28 | 180.0° | 0.0° |
| O2 | B1 | C13 | C12 | 45.8° | 0.0° |
| O2 | B1 | C13 | H26 | 166.0° | 120.0° |
| O2 | B1 | C13 | H27 | 74.4° | 120.0° |
| O2 | B1 | O3 | H29 | 180.0° | 0.0° |
| B1 | C13 | C12 | H26 | 120.2° | 120.0° |
| B1 | C13 | C12 | H27 | 120.2° | 119.9° |
| B1 | C13 | C12 | C11 | 146.6° | 180.0° |
| B1 | C13 | C12 | H24 | 93.5° | 60.0° |
| B1 | C13 | C12 | H25 | 26.7° | 60.0° |
| B1 | C13 | H26 | H27 | 119.3° | 120.0° |
| C13 | B1 | O2 | H28 | 47.5° | 180.0° |
| C13 | B1 | O3 | H29 | 45.0° | 180.0° |
| C13 | C12 | C11 | H24 | 119.9° | 120.0° |
| C13 | C12 | C11 | H25 | 119.9° | 120.0° |
| C13 | C12 | C11 | C10 | 112.5° | 180.0° |
| C13 | C12 | C11 | H22 | 127.2° | 60.0° |
| C13 | C12 | C11 | H23 | 7.7° | 60.0° |
| C13 | C12 | H24 | H25 | 120.3° | 120.0° |
| C12 | C13 | H26 | H27 | 119.3° | 120.0° |
| C12 | C11 | C10 | H22 | 120.2° | 119.9° |
| C12 | C11 | C10 | H23 | 120.2° | 120.0° |
| C12 | C11 | C10 | C9 | 116.2° | 180.0° |
| C12 | C11 | C10 | H20 | 124.0° | 60.0° |
| C12 | C11 | C10 | H21 | 3.5° | 59.9° |
| C12 | C11 | H22 | H23 | 119.4° | 120.0° |
| C11 | C12 | H24 | H25 | 120.4° | 120.0° |
| C11 | C12 | C13 | H26 | 26.4° | 60.0° |
| C11 | C12 | C13 | H27 | 93.2° | 60.0° |
| C11 | C10 | C9 | H20 | 119.7° | 120.0° |
| C11 | C10 | C9 | H21 | 119.7° | 120.0° |
| C11 | C10 | C9 | C8 | 150.1° | 180.0° |
| C11 | C10 | C9 | H18 | 89.5° | 60.1° |
| C11 | C10 | C9 | H19 | 29.8° | 60.0° |
| C11 | C10 | H20 | H21 | 120.8° | 120.0° |
| C10 | C11 | H22 | H23 | 119.4° | 120.0° |
| C10 | C11 | C12 | H24 | 7.4° | 60.0° |
| C10 | C11 | C12 | H25 | 127.6° | 60.0° |
| C10 | C9 | C8 | H18 | 120.4° | 119.9° |
| C10 | C9 | C8 | H19 | 120.3° | 120.0° |
| C10 | C9 | C8 | C7 | 156.8° | 180.0° |
| C10 | C9 | C8 | H16 | 82.3° | 60.0° |
| C10 | C9 | C8 | H17 | 35.9° | 59.9° |
| C10 | C9 | H18 | H19 | 119.0° | 120.0° |
| C9 | C10 | H20 | H21 | 120.8° | 120.0° |
| C9 | C10 | C11 | H22 | 4.0° | 60.1° |
| C9 | C10 | C11 | H23 | 123.6° | 60.0° |
| C9 | C8 | C7 | H16 | 120.9° | 120.0° |
| C9 | C8 | C7 | H17 | 121.0° | 120.1° |
| C9 | C8 | C7 | C6 | 115.7° | 180.0° |
| C9 | C8 | C7 | H14 | 4.4° | 60.1° |
| C9 | C8 | C7 | H15 | 124.2° | 60.0° |
| C9 | C8 | H16 | H17 | 117.1° | 120.0° |
| C8 | C9 | H18 | H19 | 119.0° | 120.0° |
| C8 | C9 | C10 | H20 | 30.4° | 60.0° |
| C8 | C9 | C10 | H21 | 90.2° | 60.0° |
| C8 | C7 | C6 | H14 | 120.1° | 119.9° |
| C8 | C7 | C6 | H15 | 120.1° | 120.0° |
| C8 | C7 | C6 | C5 | 103.1° | 180.0° |
| C8 | C7 | C6 | H12 | 18.1° | 60.0° |
| C8 | C7 | C6 | H13 | 135.7° | 59.9° |
| C8 | C7 | H14 | H15 | 119.8° | 120.0° |
| C7 | C8 | H16 | H17 | 117.1° | 120.0° |
| C7 | C8 | C9 | H18 | 36.5° | 60.1° |
| C7 | C8 | C9 | H19 | 82.8° | 60.0° |
| C7 | C6 | C5 | H12 | 121.2° | 120.0° |
| C7 | C6 | C5 | H13 | 121.2° | 120.1° |
| C7 | C6 | C5 | C4 | 170.3° | 180.0° |
| C7 | C6 | C5 | H10 | 69.3° | 60.1° |
| C7 | C6 | C5 | H11 | 49.8° | 60.0° |
| C7 | C6 | H12 | H13 | 116.2° | 120.0° |
| C6 | C7 | H14 | H15 | 119.7° | 120.0° |
| C6 | C7 | C8 | H16 | 123.4° | 60.0° |
| C6 | C7 | C8 | H17 | 5.2° | 59.9° |
| C6 | C5 | C4 | H10 | 120.4° | 119.9° |
| C6 | C5 | C4 | H11 | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 166.7° | 180.0° |
| C6 | C5 | C4 | H8 | 72.8° | 60.0° |
| C6 | C5 | C4 | H9 | 46.2° | 59.9° |
| C6 | C5 | H10 | H11 | 118.8° | 120.0° |
| C5 | C6 | H12 | H13 | 116.2° | 120.0° |
| C5 | C6 | C7 | H14 | 136.8° | 60.1° |
| C5 | C6 | C7 | H15 | 17.0° | 60.0° |
| C5 | C4 | C3 | H8 | 120.5° | 120.0° |
| C5 | C4 | C3 | H9 | 120.5° | 120.1° |
| C5 | C4 | C3 | C2 | 168.2° | 180.0° |
| C5 | C4 | C3 | H6 | 71.2° | 60.1° |
| C5 | C4 | C3 | H7 | 47.7° | 60.0° |
| C5 | C4 | H8 | H9 | 118.4° | 120.0° |
| C4 | C5 | H10 | H11 | 118.8° | 120.0° |
| C4 | C5 | C6 | H12 | 49.1° | 60.0° |
| C4 | C5 | C6 | H13 | 68.5° | 59.9° |
| C4 | C3 | C2 | H6 | 120.6° | 119.9° |
| C4 | C3 | C2 | H7 | 120.6° | 120.0° |
| C4 | C3 | C2 | C1 | 172.8° | 180.0° |
| C4 | C3 | C2 | H4 | 52.4° | 60.1° |
| C4 | C3 | C2 | H5 | 66.8° | 60.0° |
| C4 | C3 | H6 | H7 | 118.2° | 120.0° |
| C3 | C4 | H8 | H9 | 118.4° | 120.0° |
| C3 | C4 | C5 | H10 | 46.3° | 60.1° |
| C3 | C4 | C5 | H11 | 72.8° | 60.0° |
| C3 | C2 | C1 | H4 | 120.4° | 119.9° |
| C3 | C2 | C1 | H5 | 120.4° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.1° |
| C3 | C2 | H4 | H5 | 118.7° | 120.0° |
| C2 | C3 | H6 | H7 | 118.2° | 120.0° |
| C2 | C3 | C4 | H8 | 47.7° | 60.0° |
| C2 | C3 | C4 | H9 | 71.3° | 59.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.7° | 120.0° |
| C1 | C2 | C3 | H6 | 66.6° | 60.1° |
| C1 | C2 | C3 | H7 | 52.3° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.6° | 60.1° |
| H1 | C1 | C2 | H5 | 59.6° | 60.0° |
| H2 | C1 | C2 | H4 | 179.6° | 59.9° |
| H2 | C1 | C2 | H5 | 60.4° | 180.0° |
| H3 | C1 | C2 | H4 | 60.4° | 180.0° |
| H3 | C1 | C2 | H5 | 179.6° | 60.0° |
| H4 | C2 | C3 | H6 | 173.0° | 180.0° |
| H4 | C2 | C3 | H7 | 68.1° | 60.0° |
| H5 | C2 | C3 | H6 | 53.8° | 60.0° |
| H5 | C2 | C3 | H7 | 172.7° | 180.0° |
| H6 | C3 | C4 | H8 | 168.3° | 180.0° |
| H6 | C3 | C4 | H9 | 49.3° | 60.0° |
| H7 | C3 | C4 | H8 | 72.9° | 60.0° |
| H7 | C3 | C4 | H9 | 168.2° | 180.0° |
| H8 | C4 | C5 | H10 | 166.8° | 180.0° |
| H8 | C4 | C5 | H11 | 47.7° | 60.0° |
| H9 | C4 | C5 | H10 | 74.2° | 60.0° |
| H9 | C4 | C5 | H11 | 166.6° | 180.0° |
| H10 | C5 | C6 | H12 | 169.5° | 180.0° |
| H10 | C5 | C6 | H13 | 51.8° | 60.0° |
| H11 | C5 | C6 | H12 | 71.3° | 60.0° |
| H11 | C5 | C6 | H13 | 171.0° | 180.0° |
| H12 | C6 | C7 | H14 | 102.0° | 180.0° |
| H12 | C6 | C7 | H15 | 138.2° | 60.0° |
| H13 | C6 | C7 | H14 | 15.7° | 60.0° |
| H13 | C6 | C7 | H15 | 104.2° | 180.0° |
| H14 | C7 | C8 | H16 | 116.6° | 180.0° |
| H14 | C7 | C8 | H17 | 125.3° | 60.0° |
| H15 | C7 | C8 | H16 | 3.3° | 60.0° |
| H15 | C7 | C8 | H17 | 114.9° | 180.0° |
| H16 | C8 | C9 | H18 | 157.4° | 180.0° |
| H16 | C8 | C9 | H19 | 38.1° | 60.0° |
| H17 | C8 | C9 | H18 | 84.5° | 60.0° |
| H17 | C8 | C9 | H19 | 156.2° | 180.0° |
| H18 | C9 | C10 | H20 | 150.7° | 180.0° |
| H18 | C9 | C10 | H21 | 30.2° | 60.0° |
| H19 | C9 | C10 | H20 | 89.9° | 60.0° |
| H19 | C9 | C10 | H21 | 149.5° | 180.0° |
| H20 | C10 | C11 | H22 | 115.7° | 180.0° |
| H20 | C10 | C11 | H23 | 3.8° | 60.0° |
| H21 | C10 | C11 | H22 | 123.8° | 60.0° |
| H21 | C10 | C11 | H23 | 116.7° | 180.0° |
| H22 | C11 | C12 | H24 | 112.9° | 180.0° |
| H22 | C11 | C12 | H25 | 7.4° | 60.0° |
| H23 | C11 | C12 | H24 | 127.6° | 60.0° |
| H23 | C11 | C12 | H25 | 112.2° | 180.0° |
| H24 | C12 | C13 | H26 | 146.3° | 180.0° |
| H24 | C12 | C13 | H27 | 26.7° | 60.0° |
| H25 | C12 | C13 | H26 | 93.5° | 60.0° |
| H25 | C12 | C13 | H27 | 146.9° | 180.0° |
