LP7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| N | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| O | C8 | sing | 1.43Å | 1.33Å | |
| C1 | N | sing | 1.32Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.51Å | 1.42Å | |
| C4 | N5 | sing | 1.39Å | 1.37Å | |
| N5 | O9 | sing | 1.42Å | 1.40Å | |
| N5 | C6 | sing | 1.34Å | 1.40Å | |
| C6 | O10 | doub | 1.21Å | 1.33Å | |
| C7 | C6 | sing | 1.51Å | 1.42Å | |
| C7 | C11 | sing | 1.51Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.42Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C11 | O12 | doub | 1.21Å | 1.24Å | |
| C11 | O13 | sing | 1.34Å | 1.37Å | |
| O13 | C14 | sing | 1.45Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C2 | 117.1° | 119.2° |
| C1 | C | H | 121.4° | 120.4° |
| C | C1 | N | 123.7° | 120.9° |
| C | C1 | H1 | 118.2° | 119.5° |
| C2 | C | H | 121.4° | 120.4° |
| C | C2 | C3 | 121.6° | 118.4° |
| C | C2 | H2 | 119.2° | 120.8° |
| C4 | N | C1 | 117.7° | 121.8° |
| N | C4 | C3 | 122.9° | 120.2° |
| N | C4 | N5 | 119.0° | 120.0° |
| O | C8 | C3 | 120.0° | 109.5° |
| O | C8 | C7 | 119.0° | 109.5° |
| C8 | O | H11 | 109.5° | 114.0° |
| O | C8 | H12 | 148.7° | 109.4° |
| N | C1 | H1 | 118.1° | 119.6° |
| C3 | C2 | H2 | 119.2° | 120.8° |
| C2 | C3 | C4 | 117.0° | 119.5° |
| C2 | C3 | C8 | 123.6° | 120.1° |
| C4 | C3 | C8 | 119.3° | 120.4° |
| C3 | C4 | N5 | 118.2° | 119.8° |
| C3 | C8 | C7 | 120.9° | 109.6° |
| C3 | C8 | H12 | 29.0° | 109.5° |
| C4 | N5 | O9 | 115.3° | 119.5° |
| C4 | N5 | C6 | 125.1° | 120.9° |
| O9 | N5 | C6 | 119.5° | 119.6° |
| N5 | O9 | HO9 | 109.5° | 114.0° |
| N5 | C6 | O10 | 125.6° | 119.6° |
| N5 | C6 | C7 | 117.0° | 120.8° |
| O10 | C6 | C7 | 117.4° | 119.6° |
| C6 | C7 | C11 | 122.6° | 109.4° |
| C6 | C7 | H7 | 43.8° | 109.4° |
| C6 | C7 | C8 | 119.4° | 109.7° |
| C11 | C7 | H7 | 79.1° | 109.5° |
| C11 | C7 | C8 | 118.0° | 109.4° |
| C7 | C11 | O12 | 123.0° | 120.0° |
| C7 | C11 | O13 | 109.5° | 120.0° |
| H7 | C7 | C8 | 162.2° | 109.4° |
| C7 | C8 | H12 | 92.1° | 109.4° |
| O12 | C11 | O13 | 127.4° | 120.0° |
| C11 | O13 | C14 | 118.1° | 117.0° |
| O13 | C14 | C15 | 112.1° | 109.5° |
| O13 | C14 | H14 | 108.6° | 109.5° |
| O13 | C14 | H14A | 108.6° | 109.5° |
| C15 | C14 | H14 | 108.6° | 109.5° |
| C15 | C14 | H14A | 108.6° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H15A | 109.5° | 109.4° |
| C14 | C15 | H15B | 109.4° | 109.5° |
| H14 | C14 | H14A | 110.3° | 109.4° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C2 | H | 180.0° | 179.8° |
| C | C1 | N | C4 | 0.1° | 0.0° |
| C | C1 | N | H1 | 180.0° | 179.9° |
| C1 | C | C2 | C3 | 0.9° | 0.0° |
| C1 | C | C2 | H2 | 179.1° | 179.9° |
| C2 | C | C1 | N | 0.5° | 0.4° |
| C2 | C | C1 | H1 | 179.6° | 179.7° |
| C | C2 | C3 | H2 | 180.0° | 179.9° |
| C | C2 | C3 | C4 | 0.9° | 0.7° |
| C | C2 | C3 | C8 | 178.3° | 178.5° |
| H | C | C1 | N | 179.6° | 179.9° |
| H | C | C1 | H1 | 0.4° | 0.1° |
| H | C | C2 | C3 | 179.1° | 179.8° |
| H | C | C2 | H2 | 0.9° | 0.1° |
| C4 | N | C1 | H1 | 179.9° | 179.9° |
| N | C4 | C3 | C2 | 0.5° | 1.1° |
| N | C4 | C3 | N5 | 179.1° | 179.4° |
| N | C4 | C3 | C8 | 178.7° | 178.2° |
| N | C4 | N5 | O9 | 0.1° | 14.0° |
| N | C4 | N5 | C6 | 179.1° | 166.0° |
| O | C8 | C3 | C2 | 0.1° | 92.3° |
| O | C8 | C3 | C4 | 179.1° | 86.9° |
| O | C8 | C3 | C7 | 179.9° | 120.1° |
| O | C8 | C3 | H12 | 173.2° | 119.9° |
| O | C8 | C7 | C6 | 178.9° | 72.0° |
| O | C8 | C7 | C11 | 0.8° | 48.0° |
| O | C8 | C7 | H7 | 163.7° | 167.9° |
| O | C8 | C7 | H12 | 176.7° | 119.9° |
| C1 | N | C4 | C3 | 0.1° | 0.7° |
| C1 | N | C4 | N5 | 179.2° | 179.9° |
| C2 | C3 | C4 | C8 | 179.3° | 179.2° |
| C2 | C3 | C4 | N5 | 179.6° | 179.5° |
| C2 | C3 | C8 | C7 | 179.9° | 147.6° |
| C2 | C3 | C8 | H12 | 173.0° | 27.6° |
| H2 | C2 | C3 | C4 | 179.1° | 179.4° |
| H2 | C2 | C3 | C8 | 1.7° | 1.4° |
| C3 | C4 | N5 | O9 | 179.2° | 165.4° |
| C3 | C4 | N5 | C6 | 0.0° | 14.6° |
| C4 | C3 | C8 | C7 | 0.9° | 33.2° |
| C4 | C3 | C8 | H12 | 7.7° | 153.2° |
| C8 | C3 | C4 | N5 | 0.3° | 1.2° |
| C3 | C8 | C7 | C6 | 1.0° | 48.0° |
| C3 | C8 | C7 | C11 | 179.2° | 168.1° |
| C3 | C8 | C7 | H7 | 16.4° | 72.0° |
| C3 | C8 | C7 | H12 | 3.3° | 120.0° |
| C3 | C8 | O | H11 | 180.0° | 59.9° |
| C4 | N5 | O9 | C6 | 179.3° | 180.0° |
| C4 | N5 | C6 | O10 | 179.9° | 174.8° |
| C4 | N5 | C6 | C7 | 0.1° | 5.2° |
| C4 | N5 | O9 | HO9 | 179.7° | 180.0° |
| O9 | N5 | C6 | O10 | 0.9° | 5.2° |
| O9 | N5 | C6 | C7 | 179.3° | 174.8° |
| N5 | C6 | O10 | C7 | 179.8° | 180.0° |
| N5 | C6 | C7 | C11 | 179.6° | 157.4° |
| N5 | C6 | C7 | H7 | 171.8° | 82.6° |
| N5 | C6 | C7 | C8 | 0.6° | 37.4° |
| C6 | N5 | O9 | HO9 | 0.4° | 0.1° |
| O10 | C6 | C7 | C11 | 0.2° | 22.6° |
| O10 | C6 | C7 | H7 | 8.0° | 97.4° |
| O10 | C6 | C7 | C8 | 179.5° | 142.6° |
| C6 | C7 | C11 | H7 | 5.5° | 119.9° |
| C6 | C7 | C11 | C8 | 179.7° | 120.2° |
| C6 | C7 | H7 | C8 | 22.1° | 120.2° |
| C6 | C7 | C11 | O12 | 43.5° | 120.0° |
| C6 | C7 | C11 | O13 | 137.3° | 60.0° |
| C6 | C7 | C8 | H12 | 4.3° | 168.1° |
| C11 | C7 | H7 | C8 | 164.6° | 119.9° |
| C7 | C11 | O12 | O13 | 179.1° | 179.9° |
| C7 | C11 | O13 | C14 | 86.4° | 180.0° |
| C11 | C7 | C8 | H12 | 175.9° | 71.9° |
| H7 | C7 | C11 | O12 | 38.0° | 120.1° |
| H7 | C7 | C11 | O13 | 142.8° | 59.9° |
| H7 | C7 | C8 | H12 | 13.1° | 48.0° |
| C8 | C7 | C11 | O12 | 136.7° | 0.2° |
| C8 | C7 | C11 | O13 | 42.5° | 179.8° |
| C7 | C8 | O | H11 | 0.1° | 179.9° |
| O12 | C11 | O13 | C14 | 94.5° | 0.0° |
| C11 | O13 | C14 | C15 | 141.9° | 180.0° |
| C11 | O13 | C14 | H14 | 98.1° | 59.9° |
| C11 | O13 | C14 | H14A | 21.9° | 60.0° |
| O13 | C14 | C15 | H14 | 120.0° | 120.0° |
| O13 | C14 | C15 | H14A | 120.0° | 120.0° |
| O13 | C14 | H14 | H14A | 119.0° | 120.0° |
| O13 | C14 | C15 | H15 | 180.0° | 60.0° |
| O13 | C14 | C15 | H15A | 60.0° | 60.0° |
| O13 | C14 | C15 | H15B | 60.0° | 180.0° |
| C15 | C14 | H14 | H14A | 118.9° | 120.0° |
| C14 | C15 | H15 | H15A | 120.0° | 119.9° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 60.0° | 180.0° |
| H14 | C14 | C15 | H15A | 180.0° | 60.0° |
| H14 | C14 | C15 | H15B | 60.0° | 60.0° |
| H14A | C14 | C15 | H15 | 60.0° | 60.1° |
| H14A | C14 | C15 | H15A | 60.0° | 180.0° |
| H14A | C14 | C15 | H15B | 180.0° | 60.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.1° |
| H11 | O | C8 | H12 | 173.6° | 60.0° |
