N9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C01 | C03 | doub | 1.33Å | 1.54Å | |
| C12 | C08 | sing | 1.48Å | 1.48Å | |
| O02 | C04 | doub | 1.22Å | 1.23Å | |
| C08 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.47Å | 1.55Å | |
| C04 | N11 | sing | 1.35Å | 1.37Å | |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.39Å | 1.43Å | |
| C10 | N05 | doub | 1.32Å | 1.36Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.34Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| N11 | H9 | sing | 0.97Å | 1.00Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 120.6° | 120.2° |
| C15 | C14 | C13 | 119.5° | 120.1° |
| C15 | C14 | H11 | 120.2° | 119.9° |
| C14 | C15 | H12 | 119.7° | 119.9° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H12 | 119.7° | 119.9° |
| C15 | C16 | H13 | 120.1° | 119.9° |
| C14 | C13 | C12 | 120.2° | 119.9° |
| C14 | C13 | H10 | 119.9° | 120.1° |
| C13 | C14 | H11 | 120.2° | 120.0° |
| C16 | C17 | C12 | 120.1° | 119.9° |
| C17 | C16 | H13 | 120.1° | 120.0° |
| C16 | C17 | H14 | 119.9° | 120.1° |
| C13 | C12 | C17 | 119.8° | 119.7° |
| C13 | C12 | C08 | 119.8° | 120.1° |
| C12 | C13 | H10 | 119.9° | 120.0° |
| C17 | C12 | C08 | 120.3° | 120.1° |
| C12 | C17 | H14 | 119.9° | 120.0° |
| C01 | C03 | C04 | 114.1° | 120.1° |
| C03 | C01 | H1 | 120.0° | 120.0° |
| C03 | C01 | H2 | 120.0° | 120.1° |
| C01 | C03 | H4 | 122.9° | 119.9° |
| C12 | C08 | C09 | 114.9° | 120.8° |
| C12 | C08 | C07 | 125.4° | 120.9° |
| O02 | C04 | C03 | 121.3° | 120.0° |
| O02 | C04 | N11 | 125.3° | 120.0° |
| C09 | C08 | C07 | 119.7° | 118.3° |
| C08 | C09 | C10 | 120.5° | 118.9° |
| C08 | C09 | H8 | 119.8° | 120.5° |
| C08 | C07 | C06 | 118.3° | 119.2° |
| C08 | C07 | H7 | 120.9° | 120.4° |
| C09 | C10 | N11 | 122.5° | 119.6° |
| C09 | C10 | N05 | 118.6° | 120.7° |
| C10 | C09 | H8 | 119.8° | 120.6° |
| C03 | C04 | N11 | 113.2° | 120.0° |
| C04 | C03 | H4 | 122.9° | 120.0° |
| C04 | N11 | C10 | 124.9° | 120.0° |
| C04 | N11 | H9 | 117.6° | 120.0° |
| C07 | C06 | N05 | 120.3° | 120.9° |
| C07 | C06 | H6 | 119.9° | 119.5° |
| C06 | C07 | H7 | 120.9° | 120.4° |
| N11 | C10 | N05 | 118.8° | 119.6° |
| C10 | N11 | H9 | 117.6° | 120.0° |
| C10 | N05 | C06 | 122.6° | 121.9° |
| N05 | C06 | H6 | 119.9° | 119.5° |
| H1 | C01 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.2° |
| C15 | C14 | C13 | C12 | 0.8° | 0.1° |
| C15 | C14 | C13 | H10 | 179.2° | 179.9° |
| C14 | C15 | C16 | H13 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C15 | C16 | C17 | H13 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.5° | 0.6° |
| C16 | C15 | C14 | H11 | 179.7° | 180.0° |
| C15 | C16 | C17 | H14 | 179.5° | 180.0° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 1.2° | 0.3° |
| C14 | C13 | C12 | C08 | 178.6° | 180.0° |
| C13 | C14 | C15 | H12 | 179.7° | 179.9° |
| C16 | C17 | C12 | C13 | 1.1° | 0.6° |
| C16 | C17 | C12 | H14 | 180.0° | 179.4° |
| C16 | C17 | C12 | C08 | 178.4° | 179.7° |
| C17 | C16 | C15 | H12 | 179.9° | 179.8° |
| C13 | C12 | C17 | C08 | 177.3° | 179.7° |
| C13 | C12 | C08 | C09 | 144.8° | 180.0° |
| C13 | C12 | C08 | C07 | 33.8° | 0.0° |
| C12 | C13 | C14 | H11 | 179.2° | 180.0° |
| C13 | C12 | C17 | H14 | 179.0° | 180.0° |
| C17 | C12 | C08 | C09 | 32.5° | 0.3° |
| C17 | C12 | C08 | C07 | 148.8° | 179.7° |
| C17 | C12 | C13 | H10 | 178.8° | 179.7° |
| C12 | C17 | C16 | H13 | 179.5° | 179.7° |
| C01 | C03 | C04 | O02 | 34.3° | 0.0° |
| C01 | C03 | C04 | H4 | 180.0° | 179.9° |
| C01 | C03 | C04 | N11 | 150.6° | 180.0° |
| C03 | C01 | H1 | H2 | 180.0° | 179.8° |
| C12 | C08 | C09 | C07 | 178.7° | 180.0° |
| C12 | C08 | C09 | C10 | 179.9° | 180.0° |
| C12 | C08 | C07 | C06 | 179.2° | 180.0° |
| C12 | C08 | C07 | H7 | 0.8° | 0.0° |
| C12 | C08 | C09 | H8 | 0.1° | 0.0° |
| C08 | C12 | C13 | H10 | 1.4° | 0.0° |
| C08 | C12 | C17 | H14 | 1.6° | 0.3° |
| O02 | C04 | C03 | N11 | 175.1° | 180.0° |
| O02 | C04 | N11 | C10 | 11.4° | 5.1° |
| O02 | C04 | C03 | H4 | 145.7° | 180.0° |
| O02 | C04 | N11 | H9 | 168.6° | 175.0° |
| C08 | C09 | C10 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.6° | 0.0° |
| C08 | C09 | C10 | N11 | 177.9° | 180.0° |
| C08 | C09 | C10 | N05 | 1.9° | 0.1° |
| C09 | C08 | C07 | H7 | 179.4° | 180.0° |
| C07 | C08 | C09 | C10 | 1.1° | 0.1° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | N05 | 0.8° | 0.0° |
| C08 | C07 | C06 | H6 | 179.2° | 180.0° |
| C07 | C08 | C09 | H8 | 178.9° | 180.0° |
| C09 | C10 | N11 | C04 | 6.9° | 174.9° |
| C09 | C10 | N11 | N05 | 176.0° | 179.9° |
| C09 | C10 | N05 | C06 | 2.2° | 0.0° |
| C09 | C10 | N11 | H9 | 173.1° | 5.0° |
| C03 | C04 | N11 | C10 | 173.7° | 174.9° |
| C04 | C03 | C01 | H1 | 0.0° | 0.1° |
| C04 | C03 | C01 | H2 | 180.0° | 179.8° |
| C03 | C04 | N11 | H9 | 6.3° | 5.0° |
| C04 | N11 | C10 | H9 | 180.0° | 179.9° |
| C04 | N11 | C10 | N05 | 169.2° | 5.2° |
| N11 | C04 | C03 | H4 | 29.4° | 0.1° |
| C07 | C06 | N05 | C10 | 1.7° | 0.0° |
| C07 | C06 | N05 | H6 | 180.0° | 180.0° |
| N11 | C10 | N05 | C06 | 178.4° | 179.9° |
| N11 | C10 | C09 | H8 | 2.1° | 0.1° |
| C10 | N05 | C06 | H6 | 178.3° | 180.0° |
| N05 | C10 | C09 | H8 | 178.1° | 180.0° |
| N05 | C10 | N11 | H9 | 10.8° | 174.9° |
| N05 | C06 | C07 | H7 | 179.1° | 179.9° |
| H1 | C01 | C03 | H4 | 180.0° | 180.0° |
| H2 | C01 | C03 | H4 | 0.0° | 0.2° |
| H6 | C06 | C07 | H7 | 0.8° | 0.0° |
| H10 | C13 | C14 | H11 | 0.8° | 0.0° |
| H11 | C14 | C15 | H12 | 0.2° | 0.0° |
| H12 | C15 | C16 | H13 | 0.1° | 0.0° |
| H13 | C16 | C17 | H14 | 0.5° | 0.2° |
