LWD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.53Å | |
| O | C6 | doub | 1.22Å | 1.28Å | |
| C6 | N | sing | 1.35Å | 1.36Å | |
| N | C7 | sing | 1.40Å | 1.44Å | |
| C7 | C8 | doub | 1.40Å | 1.44Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.44Å | Aromatic |
| C11 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | N1 | sing | 1.34Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| N1 | C15 | doub | 1.31Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 121.5° | 120.1° |
| C1 | C | C5 | 118.1° | 120.3° |
| C1 | C | H7 | 121.0° | 119.9° |
| C | C1 | H8 | 119.3° | 119.9° |
| C1 | C2 | C3 | 121.6° | 119.8° |
| C2 | C1 | H8 | 119.3° | 120.0° |
| C1 | C2 | H11 | 119.2° | 120.1° |
| C | C5 | C4 | 120.5° | 120.2° |
| C | C5 | H2 | 119.8° | 119.9° |
| C5 | C | H7 | 120.9° | 119.8° |
| C2 | C3 | C4 | 118.4° | 119.8° |
| C2 | C3 | C6 | 118.6° | 120.1° |
| C3 | C2 | H11 | 119.2° | 120.1° |
| C5 | C4 | C3 | 120.0° | 119.8° |
| C5 | C4 | H1 | 120.0° | 120.1° |
| C4 | C5 | H2 | 119.8° | 119.9° |
| C4 | C3 | C6 | 123.0° | 120.1° |
| C3 | C4 | H1 | 120.0° | 120.1° |
| C3 | C6 | O | 123.2° | 120.0° |
| C3 | C6 | N | 115.9° | 120.0° |
| O | C6 | N | 120.9° | 120.0° |
| C6 | N | C7 | 125.9° | 120.0° |
| C6 | N | H6 | 117.1° | 120.0° |
| N | C7 | C8 | 123.3° | 119.7° |
| N | C7 | C12 | 115.9° | 119.8° |
| C7 | N | H6 | 117.1° | 120.0° |
| C8 | C7 | C12 | 120.7° | 120.5° |
| C7 | C8 | C9 | 119.3° | 121.0° |
| C7 | C8 | H3 | 120.3° | 119.5° |
| C7 | C12 | C11 | 120.3° | 119.5° |
| C7 | C12 | H9 | 119.8° | 120.2° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | H3 | 120.3° | 119.5° |
| C8 | C9 | H12 | 119.9° | 120.0° |
| C12 | C11 | C10 | 119.9° | 119.7° |
| C12 | C11 | C13 | 120.8° | 121.3° |
| C11 | C12 | H9 | 119.8° | 120.3° |
| C9 | C10 | C11 | 119.4° | 119.3° |
| C9 | C10 | N1 | 119.0° | 120.9° |
| C10 | C9 | H12 | 119.9° | 120.0° |
| C10 | C11 | C13 | 119.3° | 119.0° |
| C11 | C10 | N1 | 121.6° | 119.8° |
| C11 | C13 | C14 | 119.3° | 118.2° |
| C11 | C13 | H4 | 120.4° | 120.9° |
| C10 | N1 | C15 | 116.4° | 121.4° |
| C13 | C14 | C15 | 118.7° | 119.9° |
| C14 | C13 | H4 | 120.3° | 121.0° |
| C13 | C14 | H10 | 120.7° | 120.1° |
| N1 | C15 | C14 | 124.8° | 121.7° |
| N1 | C15 | H5 | 117.6° | 119.1° |
| C14 | C15 | H5 | 117.6° | 119.2° |
| C15 | C14 | H10 | 120.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H8 | 180.0° | 180.0° |
| C1 | C | C5 | H7 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.8° | 0.2° |
| C1 | C | C5 | C4 | 0.8° | 0.0° |
| C1 | C | C5 | H2 | 179.2° | 180.0° |
| C | C1 | C2 | H11 | 179.2° | 179.9° |
| C2 | C1 | C | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | H11 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.1° | 0.5° |
| C1 | C2 | C3 | C6 | 177.5° | 180.0° |
| C2 | C1 | C | H7 | 179.8° | 180.0° |
| C | C5 | C4 | H2 | 180.0° | 180.0° |
| C | C5 | C4 | C3 | 0.5° | 0.3° |
| C | C5 | C4 | H1 | 179.5° | 180.0° |
| C5 | C | C1 | H8 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.5° |
| C2 | C3 | C4 | C6 | 178.5° | 179.5° |
| C2 | C3 | C6 | O | 23.7° | 0.1° |
| C2 | C3 | C6 | N | 154.1° | 180.0° |
| C2 | C3 | C4 | H1 | 179.6° | 179.7° |
| C3 | C2 | C1 | H8 | 179.2° | 179.8° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C6 | 178.1° | 180.0° |
| C4 | C5 | C | H7 | 179.2° | 180.0° |
| C4 | C3 | C6 | O | 154.8° | 179.4° |
| C4 | C3 | C6 | N | 27.4° | 0.5° |
| C3 | C4 | C5 | H2 | 179.5° | 179.7° |
| C4 | C3 | C2 | H11 | 178.9° | 179.7° |
| C3 | C6 | O | N | 177.7° | 179.9° |
| C3 | C6 | N | C7 | 178.2° | 174.7° |
| C6 | C3 | C4 | H1 | 2.0° | 0.2° |
| C3 | C6 | N | H6 | 1.8° | 5.3° |
| C6 | C3 | C2 | H11 | 2.5° | 0.2° |
| O | C6 | N | C7 | 3.9° | 5.3° |
| O | C6 | N | H6 | 176.1° | 174.7° |
| C6 | N | C7 | H6 | 180.0° | 180.0° |
| C6 | N | C7 | C8 | 44.3° | 146.2° |
| C6 | N | C7 | C12 | 138.3° | 33.6° |
| N | C7 | C8 | C12 | 177.2° | 179.9° |
| N | C7 | C8 | C9 | 177.4° | 180.0° |
| N | C7 | C12 | C11 | 176.3° | 180.0° |
| N | C7 | C8 | H3 | 2.6° | 0.1° |
| N | C7 | C12 | H9 | 3.7° | 0.1° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C8 | C7 | C12 | C11 | 1.2° | 0.1° |
| C7 | C8 | C9 | C10 | 1.0° | 0.1° |
| C8 | C7 | N | H6 | 135.7° | 33.8° |
| C8 | C7 | C12 | H9 | 178.8° | 179.9° |
| C7 | C8 | C9 | H12 | 179.1° | 180.0° |
| C12 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C12 | C11 | H9 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 1.7° | 0.1° |
| C7 | C12 | C11 | C13 | 176.7° | 180.0° |
| C12 | C7 | C8 | H3 | 179.8° | 180.0° |
| C12 | C7 | N | H6 | 41.6° | 146.3° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.0° |
| C8 | C9 | C10 | N1 | 178.3° | 180.0° |
| C12 | C11 | C10 | C9 | 0.9° | 0.0° |
| C12 | C11 | C10 | C13 | 178.4° | 180.0° |
| C12 | C11 | C10 | N1 | 179.6° | 180.0° |
| C12 | C11 | C13 | C14 | 178.9° | 179.9° |
| C12 | C11 | C13 | H4 | 1.1° | 0.0° |
| C9 | C10 | C11 | N1 | 178.7° | 179.9° |
| C9 | C10 | C11 | C13 | 177.5° | 179.9° |
| C9 | C10 | N1 | C15 | 178.2° | 179.9° |
| C10 | C9 | C8 | H3 | 179.0° | 179.9° |
| C10 | C11 | C13 | C14 | 0.5° | 0.0° |
| C11 | C10 | N1 | C15 | 0.6° | 0.0° |
| C10 | C11 | C13 | H4 | 179.5° | 180.0° |
| C10 | C11 | C12 | H9 | 178.3° | 180.0° |
| C11 | C10 | C9 | H12 | 179.6° | 180.0° |
| C13 | C11 | C10 | N1 | 1.2° | 0.0° |
| C11 | C13 | C14 | H4 | 180.0° | 180.0° |
| C11 | C13 | C14 | C15 | 0.8° | 0.1° |
| C13 | C11 | C12 | H9 | 3.3° | 0.1° |
| C11 | C13 | C14 | H10 | 179.2° | 180.0° |
| C10 | N1 | C15 | C14 | 0.8° | 0.0° |
| C10 | N1 | C15 | H5 | 179.2° | 180.0° |
| N1 | C10 | C9 | H12 | 1.6° | 0.0° |
| C13 | C14 | C15 | N1 | 1.5° | 0.1° |
| C13 | C14 | C15 | H10 | 180.0° | 179.9° |
| C13 | C14 | C15 | H5 | 178.5° | 180.0° |
| N1 | C15 | C14 | H5 | 180.0° | 180.0° |
| N1 | C15 | C14 | H10 | 178.4° | 180.0° |
| C15 | C14 | C13 | H4 | 179.2° | 180.0° |
| H1 | C4 | C5 | H2 | 0.5° | 0.1° |
| H2 | C5 | C | H7 | 0.8° | 0.1° |
| H3 | C8 | C9 | H12 | 1.0° | 0.1° |
| H4 | C13 | C14 | H10 | 0.8° | 0.1° |
| H5 | C15 | C14 | H10 | 1.6° | 0.1° |
| H7 | C | C1 | H8 | 0.2° | 0.0° |
| H8 | C1 | C2 | H11 | 0.8° | 0.1° |
