L32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.21Å | 1.25Å | |
| O19 | C17 | sing | 1.34Å | 1.25Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | N14 | sing | 1.42Å | 1.25Å | |
| N14 | C07 | doub | 1.30Å | 1.36Å | |
| C07 | C03 | sing | 1.48Å | 1.49Å | |
| C07 | C08 | sing | 1.48Å | 1.48Å | |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.41Å | 1.37Å | Aromatic |
| BR1 | C05 | sing | 1.89Å | 1.89Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| BR2 | C12 | sing | 1.89Å | 1.89Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C09 | sing | 1.48Å | 1.49Å | |
| C02 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| O19 | H6 | sing | 0.97Å | 0.95Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | O19 | 122.6° | 120.0° |
| O18 | C17 | C16 | 119.7° | 120.0° |
| O19 | C17 | C16 | 117.7° | 120.0° |
| C17 | O19 | H6 | 109.5° | 117.0° |
| C17 | C16 | O15 | 109.0° | 109.5° |
| C17 | C16 | H4 | 109.6° | 109.5° |
| C17 | C16 | H5 | 109.6° | 109.5° |
| C16 | O15 | N14 | 118.3° | 114.0° |
| O15 | C16 | H4 | 109.6° | 109.5° |
| O15 | C16 | H5 | 109.6° | 109.4° |
| O15 | N14 | C07 | 120.8° | 120.1° |
| N14 | C07 | C03 | 125.3° | 126.6° |
| N14 | C07 | C08 | 123.0° | 126.5° |
| C03 | C07 | C08 | 111.7° | 106.9° |
| C07 | C03 | C04 | 134.6° | 132.3° |
| C07 | C03 | C02 | 103.4° | 107.8° |
| C07 | C08 | C13 | 133.5° | 132.3° |
| C07 | C08 | C09 | 103.7° | 107.8° |
| C03 | C04 | C05 | 118.1° | 119.9° |
| C04 | C03 | C02 | 121.9° | 119.9° |
| C03 | C04 | H7 | 121.0° | 120.0° |
| C04 | C05 | BR1 | 118.8° | 119.8° |
| C04 | C05 | C06 | 120.6° | 120.3° |
| C05 | C04 | H7 | 121.0° | 120.1° |
| C08 | C13 | C12 | 117.2° | 119.9° |
| C13 | C08 | C09 | 122.8° | 119.9° |
| C08 | C13 | H3 | 121.4° | 120.1° |
| C13 | C12 | BR2 | 118.1° | 119.9° |
| C13 | C12 | C11 | 120.8° | 120.2° |
| C12 | C13 | H3 | 121.4° | 120.0° |
| C03 | C02 | C09 | 110.7° | 108.7° |
| C03 | C02 | C01 | 120.9° | 119.5° |
| C08 | C09 | C02 | 110.5° | 108.7° |
| C08 | C09 | C10 | 120.7° | 119.4° |
| BR1 | C05 | C06 | 120.6° | 119.9° |
| C05 | C06 | C01 | 120.5° | 120.4° |
| C05 | C06 | H8 | 119.8° | 119.8° |
| BR2 | C12 | C11 | 121.1° | 119.9° |
| C12 | C11 | C10 | 120.8° | 120.5° |
| C12 | C11 | H1 | 119.6° | 119.7° |
| C09 | C02 | C01 | 128.4° | 131.8° |
| C02 | C09 | C10 | 128.8° | 131.9° |
| C02 | C01 | C06 | 117.9° | 120.0° |
| C02 | C01 | H9 | 121.1° | 120.0° |
| C09 | C10 | C11 | 117.7° | 120.0° |
| C09 | C10 | H2 | 121.2° | 120.0° |
| C01 | C06 | H8 | 119.7° | 119.8° |
| C06 | C01 | H9 | 121.1° | 120.0° |
| C10 | C11 | H1 | 119.6° | 119.8° |
| C11 | C10 | H2 | 121.1° | 120.0° |
| H4 | C16 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | O19 | C16 | 179.9° | 179.9° |
| O18 | C17 | C16 | O15 | 151.7° | 0.1° |
| O18 | C17 | C16 | H4 | 88.4° | 120.0° |
| O18 | C17 | C16 | H5 | 31.7° | 120.0° |
| O18 | C17 | O19 | H6 | 0.0° | 0.1° |
| O19 | C17 | C16 | O15 | 28.2° | 180.0° |
| O19 | C17 | C16 | H4 | 91.7° | 60.0° |
| O19 | C17 | C16 | H5 | 148.2° | 60.1° |
| C17 | C16 | O15 | H4 | 119.9° | 120.1° |
| C17 | C16 | O15 | H5 | 119.9° | 119.9° |
| C17 | C16 | O15 | N14 | 163.3° | 180.0° |
| C17 | C16 | H4 | H5 | 120.2° | 120.0° |
| C16 | C17 | O19 | H6 | 179.9° | 180.0° |
| C16 | O15 | N14 | C07 | 122.9° | 179.9° |
| O15 | C16 | H4 | H5 | 120.3° | 119.9° |
| O15 | N14 | C07 | C03 | 0.6° | 180.0° |
| O15 | N14 | C07 | C08 | 179.5° | 0.2° |
| N14 | O15 | C16 | H4 | 43.4° | 59.9° |
| N14 | O15 | C16 | H5 | 76.8° | 60.1° |
| N14 | C07 | C03 | C08 | 179.0° | 179.8° |
| N14 | C07 | C03 | C04 | 1.3° | 0.2° |
| N14 | C07 | C08 | C13 | 1.2° | 0.5° |
| N14 | C07 | C03 | C02 | 179.4° | 180.0° |
| N14 | C07 | C08 | C09 | 179.4° | 180.0° |
| C07 | C03 | C04 | C02 | 179.2° | 179.8° |
| C07 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | C07 | C08 | C13 | 179.8° | 179.7° |
| C03 | C07 | C08 | C09 | 0.4° | 0.2° |
| C07 | C03 | C02 | C09 | 0.2° | 0.1° |
| C07 | C03 | C02 | C01 | 179.9° | 179.9° |
| C07 | C03 | C04 | H7 | 0.1° | 0.1° |
| C08 | C07 | C03 | C04 | 179.7° | 180.0° |
| C07 | C08 | C13 | C09 | 179.3° | 179.4° |
| C07 | C08 | C13 | C12 | 179.6° | 180.0° |
| C08 | C07 | C03 | C02 | 0.4° | 0.2° |
| C07 | C08 | C09 | C02 | 0.2° | 0.1° |
| C07 | C08 | C09 | C10 | 179.8° | 179.8° |
| C07 | C08 | C13 | H3 | 0.4° | 0.6° |
| C03 | C04 | C05 | H7 | 180.0° | 179.9° |
| C03 | C04 | C05 | BR1 | 179.4° | 180.0° |
| C03 | C04 | C05 | C06 | 0.9° | 0.0° |
| C04 | C03 | C02 | C09 | 179.7° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C05 | C04 | C03 | C02 | 0.8° | 0.2° |
| C04 | C05 | BR1 | C06 | 179.7° | 179.9° |
| C04 | C05 | C06 | C01 | 0.6° | 0.4° |
| C04 | C05 | C06 | H8 | 179.4° | 180.0° |
| C08 | C13 | C12 | H3 | 180.0° | 179.4° |
| C08 | C13 | C12 | BR2 | 179.8° | 179.7° |
| C08 | C13 | C12 | C11 | 0.1° | 0.6° |
| C13 | C08 | C09 | C02 | 179.7° | 179.7° |
| C13 | C08 | C09 | C10 | 0.3° | 0.3° |
| C12 | C13 | C08 | C09 | 0.3° | 0.6° |
| C13 | C12 | BR2 | C11 | 179.9° | 179.7° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H1 | 179.9° | 179.7° |
| C03 | C02 | C09 | C08 | 0.0° | 0.0° |
| C03 | C02 | C09 | C01 | 179.8° | 180.0° |
| C03 | C02 | C09 | C10 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.2° | 0.3° |
| C02 | C03 | C04 | H7 | 179.1° | 179.7° |
| C03 | C02 | C01 | H9 | 179.8° | 180.0° |
| C08 | C09 | C02 | C10 | 180.0° | 179.9° |
| C08 | C09 | C02 | C01 | 179.8° | 180.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C08 | C09 | C10 | H2 | 179.9° | 180.0° |
| C09 | C08 | C13 | H3 | 179.7° | 180.0° |
| BR1 | C05 | C06 | C01 | 179.7° | 179.6° |
| BR1 | C05 | C04 | H7 | 0.6° | 0.1° |
| BR1 | C05 | C06 | H8 | 0.3° | 0.0° |
| C05 | C06 | C01 | C02 | 0.2° | 0.6° |
| C05 | C06 | C01 | H8 | 180.0° | 179.6° |
| C06 | C05 | C04 | H7 | 179.1° | 180.0° |
| C05 | C06 | C01 | H9 | 179.7° | 179.8° |
| BR2 | C12 | C11 | C10 | 180.0° | 180.0° |
| BR2 | C12 | C11 | H1 | 0.0° | 0.0° |
| BR2 | C12 | C13 | H3 | 0.2° | 0.3° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C12 | C11 | C10 | H2 | 179.9° | 180.0° |
| C11 | C12 | C13 | H3 | 179.9° | 180.0° |
| C09 | C02 | C01 | C06 | 180.0° | 179.6° |
| C02 | C09 | C10 | C11 | 179.9° | 179.9° |
| C02 | C09 | C10 | H2 | 0.1° | 0.1° |
| C09 | C02 | C01 | H9 | 0.0° | 0.0° |
| C01 | C02 | C09 | C10 | 0.2° | 0.1° |
| C02 | C01 | C06 | H9 | 180.0° | 179.6° |
| C02 | C01 | C06 | H8 | 179.8° | 179.8° |
| C09 | C10 | C11 | H2 | 180.0° | 180.0° |
| C09 | C10 | C11 | H1 | 179.9° | 180.0° |
| H1 | C11 | C10 | H2 | 0.1° | 0.1° |
| H8 | C06 | C01 | H9 | 0.2° | 0.2° |
