QNA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C09 | sing | 1.51Å | 1.44Å | |
| C17 | C15 | sing | 1.55Å | 1.58Å | |
| C09 | C10 | sing | 1.39Å | 1.46Å | Aromatic |
| C07 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.31Å | |
| C10 | C04 | doub | 1.40Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | F06 | sing | 1.35Å | 1.39Å | |
| C15 | B12 | sing | 1.61Å | 1.56Å | |
| O11 | B12 | sing | 1.37Å | 1.59Å | |
| C04 | C02 | sing | 1.47Å | 1.50Å | |
| O03 | C02 | doub | 1.22Å | 1.28Å | |
| O13 | B12 | sing | 1.37Å | 1.45Å | |
| C02 | O01 | sing | 1.35Å | 1.29Å | |
| B12 | O14 | sing | 1.37Å | 1.46Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| O14 | H5 | sing | 0.97Å | 0.95Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| O13 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 61.3° | 60.7° |
| C16 | C17 | C09 | 139.6° | 117.0° |
| C16 | C17 | C15 | 59.1° | 59.6° |
| C17 | C16 | H1 | 119.8° | 117.5° |
| C17 | C16 | H2 | 119.8° | 117.4° |
| C16 | C17 | H3 | 108.5° | 118.7° |
| C16 | C15 | C17 | 59.6° | 59.7° |
| C16 | C15 | B12 | 137.8° | 117.0° |
| C15 | C16 | H1 | 119.8° | 117.5° |
| C15 | C16 | H2 | 119.8° | 117.4° |
| C16 | C15 | H8 | 109.5° | 118.6° |
| C09 | C08 | C07 | 120.4° | 120.2° |
| C08 | C09 | C17 | 123.4° | 120.6° |
| C08 | C09 | C10 | 121.9° | 120.6° |
| C09 | C08 | H7 | 119.8° | 119.9° |
| C08 | C07 | C05 | 116.6° | 120.2° |
| C08 | C07 | H6 | 121.7° | 119.9° |
| C07 | C08 | H7 | 119.9° | 119.9° |
| C09 | C17 | C15 | 118.0° | 113.7° |
| C17 | C09 | C10 | 114.7° | 118.8° |
| C09 | C17 | H3 | 110.0° | 116.4° |
| C17 | C15 | B12 | 120.7° | 113.8° |
| C15 | C17 | H3 | 108.1° | 119.5° |
| C17 | C15 | H8 | 109.0° | 118.9° |
| C09 | C10 | O11 | 122.0° | 120.4° |
| C09 | C10 | C04 | 117.3° | 119.4° |
| C07 | C05 | C04 | 125.5° | 120.0° |
| C07 | C05 | F06 | 117.1° | 120.0° |
| C05 | C07 | H6 | 121.7° | 119.9° |
| O11 | C10 | C04 | 120.7° | 120.1° |
| C10 | O11 | B12 | 119.8° | 114.3° |
| C10 | C04 | C05 | 118.4° | 119.6° |
| C10 | C04 | C02 | 119.1° | 120.3° |
| C04 | C05 | F06 | 117.3° | 120.0° |
| C05 | C04 | C02 | 122.2° | 120.2° |
| C15 | B12 | O11 | 100.1° | 107.8° |
| C15 | B12 | O13 | 115.0° | 109.8° |
| C15 | B12 | O14 | 117.5° | 109.8° |
| B12 | C15 | H8 | 109.2° | 116.6° |
| O11 | B12 | O13 | 103.6° | 109.8° |
| O11 | B12 | O14 | 107.3° | 109.8° |
| C04 | C02 | O03 | 122.4° | 120.0° |
| C04 | C02 | O01 | 116.3° | 120.0° |
| O03 | C02 | O01 | 120.0° | 120.0° |
| O13 | B12 | O14 | 111.4° | 109.8° |
| B12 | O13 | H9 | 109.5° | 114.0° |
| C02 | O01 | H4 | 109.5° | 117.0° |
| B12 | O14 | H5 | 109.5° | 114.0° |
| H1 | C16 | H2 | 109.4° | 115.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H1 | 109.8° | 107.7° |
| C17 | C16 | C15 | H2 | 109.9° | 107.7° |
| C16 | C17 | C09 | C08 | 125.8° | 134.1° |
| C16 | C17 | C09 | C15 | 74.2° | 66.7° |
| C16 | C17 | C09 | H3 | 161.2° | 148.6° |
| C16 | C17 | C15 | H3 | 101.1° | 107.9° |
| C16 | C17 | C09 | C10 | 53.6° | 46.2° |
| C17 | C16 | C15 | B12 | 103.5° | 103.1° |
| C17 | C16 | H1 | H2 | 144.0° | 145.3° |
| C17 | C16 | C15 | H8 | 101.1° | 108.6° |
| C16 | C15 | B12 | H8 | 155.4° | 148.9° |
| C16 | C15 | B12 | O11 | 47.0° | 27.0° |
| C16 | C15 | B12 | O13 | 63.3° | 92.6° |
| C16 | C15 | B12 | O14 | 162.7° | 146.6° |
| C15 | C16 | H1 | H2 | 144.0° | 145.3° |
| C09 | C08 | C07 | H7 | 180.0° | 179.4° |
| C08 | C09 | C17 | C10 | 179.5° | 179.7° |
| C08 | C09 | C17 | C15 | 160.0° | 159.2° |
| C09 | C08 | C07 | C05 | 0.7° | 0.5° |
| C08 | C09 | C10 | O11 | 176.8° | 180.0° |
| C08 | C09 | C10 | C04 | 1.0° | 0.2° |
| C08 | C09 | C17 | H3 | 35.4° | 14.4° |
| C09 | C08 | C07 | H6 | 179.4° | 179.8° |
| C07 | C08 | C09 | C17 | 179.7° | 179.9° |
| C07 | C08 | C09 | C10 | 0.8° | 0.5° |
| C08 | C07 | C05 | H6 | 180.0° | 179.8° |
| C08 | C07 | C05 | C04 | 2.1° | 0.2° |
| C08 | C07 | C05 | F06 | 179.5° | 179.7° |
| C09 | C17 | C15 | H3 | 125.5° | 143.6° |
| C17 | C09 | C10 | O11 | 2.7° | 0.3° |
| C17 | C09 | C10 | C04 | 179.5° | 179.9° |
| C09 | C17 | C15 | B12 | 2.8° | 0.1° |
| C09 | C17 | C16 | H1 | 152.0° | 149.3° |
| C09 | C17 | C16 | H2 | 11.7° | 4.8° |
| C17 | C09 | C08 | H7 | 0.3° | 0.4° |
| C09 | C17 | C15 | H8 | 124.7° | 143.4° |
| C15 | C17 | C09 | C10 | 20.5° | 20.5° |
| C17 | C15 | B12 | H8 | 127.4° | 144.3° |
| C17 | C15 | B12 | O11 | 30.2° | 39.7° |
| C17 | C15 | B12 | O13 | 140.4° | 159.3° |
| C17 | C15 | B12 | O14 | 85.5° | 79.8° |
| C09 | C10 | O11 | C04 | 177.8° | 179.8° |
| C09 | C10 | C04 | C05 | 0.3° | 0.1° |
| C09 | C10 | O11 | B12 | 46.8° | 47.2° |
| C09 | C10 | C04 | C02 | 173.2° | 179.9° |
| C10 | C09 | C17 | H3 | 145.2° | 165.2° |
| C10 | C09 | C08 | H7 | 179.2° | 179.9° |
| C07 | C05 | C04 | C10 | 1.9° | 0.0° |
| C07 | C05 | C04 | F06 | 177.4° | 179.9° |
| C07 | C05 | C04 | C02 | 174.6° | 180.0° |
| C05 | C07 | C08 | H7 | 179.3° | 179.9° |
| O11 | C10 | C04 | C05 | 178.1° | 179.8° |
| C10 | O11 | B12 | C15 | 56.4° | 64.5° |
| O11 | C10 | C04 | C02 | 8.9° | 0.2° |
| C10 | O11 | B12 | O13 | 175.3° | 175.9° |
| C10 | O11 | B12 | O14 | 66.7° | 55.0° |
| C10 | C04 | C05 | C02 | 172.7° | 180.0° |
| C10 | C04 | C05 | F06 | 179.3° | 180.0° |
| C04 | C10 | O11 | B12 | 135.5° | 132.9° |
| C10 | C04 | C02 | O03 | 32.3° | 90.3° |
| C10 | C04 | C02 | O01 | 134.6° | 90.0° |
| C05 | C04 | C02 | O03 | 155.1° | 89.7° |
| C05 | C04 | C02 | O01 | 38.1° | 90.0° |
| C04 | C05 | C07 | H6 | 177.9° | 180.0° |
| F06 | C05 | C04 | C02 | 8.0° | 0.0° |
| F06 | C05 | C07 | H6 | 0.5° | 0.1° |
| C15 | B12 | O11 | O13 | 119.0° | 119.6° |
| C15 | B12 | O11 | O14 | 123.1° | 119.5° |
| C15 | B12 | O13 | O14 | 136.8° | 120.8° |
| B12 | C15 | C16 | H1 | 146.7° | 149.2° |
| B12 | C15 | C16 | H2 | 6.3° | 4.5° |
| B12 | C15 | C17 | H3 | 128.3° | 143.6° |
| C15 | B12 | O14 | H5 | 180.0° | 180.0° |
| C15 | B12 | O13 | H9 | 180.0° | 179.2° |
| O11 | B12 | O13 | O14 | 115.1° | 120.8° |
| O11 | B12 | O14 | H5 | 68.3° | 61.7° |
| O11 | B12 | C15 | H8 | 157.6° | 176.0° |
| O11 | B12 | O13 | H9 | 71.9° | 60.8° |
| C04 | C02 | O03 | O01 | 166.4° | 179.8° |
| C04 | C02 | O01 | H4 | 167.2° | 180.0° |
| O03 | C02 | O01 | H4 | 0.0° | 0.3° |
| O13 | B12 | O14 | H5 | 44.4° | 59.2° |
| O13 | B12 | C15 | H8 | 92.1° | 56.3° |
| O14 | B12 | C15 | H8 | 41.9° | 64.5° |
| O14 | B12 | O13 | H9 | 43.2° | 60.0° |
| H1 | C16 | C17 | H3 | 9.3° | 1.5° |
| H1 | C16 | C15 | H8 | 8.7° | 0.9° |
| H2 | C16 | C17 | H3 | 149.6° | 143.1° |
| H2 | C16 | C15 | H8 | 149.0° | 143.8° |
| H3 | C17 | C15 | H8 | 0.8° | 0.2° |
| H6 | C07 | C08 | H7 | 0.6° | 0.3° |
