P9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C15 | doub | 1.35Å | 1.35Å | Aromatic |
| C13 | N12 | sing | 1.37Å | 1.32Å | Aromatic |
| C15 | N16 | sing | 1.34Å | 1.44Å | Aromatic |
| N12 | C11 | sing | 1.47Å | 1.46Å | |
| N12 | C14 | sing | 1.35Å | 1.30Å | Aromatic |
| C11 | C9 | sing | 1.53Å | 1.55Å | |
| N16 | C14 | doub | 1.31Å | 1.25Å | Aromatic |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | O4 | sing | 1.43Å | 1.44Å | |
| C2 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| O4 | C1 | sing | 1.36Å | 1.40Å | |
| C1 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | CL10 | sing | 1.74Å | 1.75Å | |
| C8 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | N12 | 109.9° | 106.8° |
| C13 | C15 | N16 | 101.1° | 108.0° |
| C15 | C13 | H5 | 125.0° | 126.6° |
| C13 | C15 | H7 | 129.5° | 126.0° |
| C13 | N12 | C11 | 125.3° | 126.4° |
| C13 | N12 | C14 | 109.7° | 107.2° |
| N12 | C13 | H5 | 125.1° | 126.6° |
| C15 | N16 | C14 | 110.2° | 109.2° |
| N16 | C15 | H7 | 129.4° | 125.9° |
| C11 | N12 | C14 | 125.1° | 126.4° |
| N12 | C11 | C9 | 108.6° | 109.5° |
| N12 | C11 | H3 | 109.7° | 109.5° |
| N12 | C11 | H4 | 109.7° | 109.5° |
| N12 | C14 | N16 | 109.2° | 108.7° |
| N12 | C14 | H6 | 125.4° | 125.7° |
| C11 | C9 | C7 | 111.3° | 109.4° |
| C9 | C11 | H3 | 109.7° | 109.4° |
| C9 | C11 | H4 | 109.7° | 109.5° |
| C11 | C9 | H12 | 109.0° | 109.5° |
| C11 | C9 | H13 | 109.0° | 109.4° |
| N16 | C14 | H6 | 125.4° | 125.6° |
| C9 | C7 | O4 | 108.6° | 109.5° |
| C9 | C7 | H10 | 109.7° | 109.5° |
| C9 | C7 | H11 | 109.7° | 109.5° |
| C7 | C9 | H12 | 109.0° | 109.5° |
| C7 | C9 | H13 | 109.0° | 109.5° |
| C7 | O4 | C1 | 121.1° | 117.0° |
| O4 | C7 | H10 | 109.7° | 109.4° |
| O4 | C7 | H11 | 109.7° | 109.5° |
| C5 | C2 | C1 | 120.7° | 120.0° |
| C2 | C5 | C8 | 119.8° | 120.0° |
| C5 | C2 | H1 | 119.7° | 120.0° |
| C2 | C5 | H8 | 120.1° | 120.0° |
| C2 | C1 | O4 | 117.9° | 120.1° |
| C2 | C1 | C3 | 119.3° | 119.9° |
| C1 | C2 | H1 | 119.6° | 120.0° |
| C5 | C8 | CL10 | 119.9° | 119.9° |
| C5 | C8 | C6 | 119.8° | 120.1° |
| C8 | C5 | H8 | 120.1° | 120.0° |
| O4 | C1 | C3 | 122.9° | 120.1° |
| C1 | C3 | C6 | 120.1° | 120.0° |
| C1 | C3 | H2 | 119.9° | 120.0° |
| CL10 | C8 | C6 | 120.3° | 120.0° |
| C8 | C6 | C3 | 120.2° | 120.0° |
| C8 | C6 | H9 | 119.9° | 119.9° |
| C6 | C3 | H2 | 119.9° | 120.0° |
| C3 | C6 | H9 | 119.9° | 120.1° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | N12 | H5 | 180.0° | 179.7° |
| C13 | C15 | N16 | H7 | 180.0° | 179.9° |
| C15 | C13 | N12 | C11 | 179.9° | 180.0° |
| C15 | C13 | N12 | C14 | 0.0° | 0.0° |
| C13 | C15 | N16 | C14 | 0.0° | 0.0° |
| N12 | C13 | C15 | N16 | 0.0° | 0.0° |
| C13 | N12 | C11 | C14 | 179.9° | 180.0° |
| C13 | N12 | C11 | C9 | 57.8° | 90.0° |
| C13 | N12 | C14 | N16 | 0.0° | 0.0° |
| C13 | N12 | C11 | H3 | 62.1° | 30.0° |
| C13 | N12 | C11 | H4 | 177.7° | 150.0° |
| C13 | N12 | C14 | H6 | 180.0° | 180.0° |
| N12 | C13 | C15 | H7 | 180.0° | 180.0° |
| C15 | N16 | C14 | N12 | 0.0° | 0.0° |
| N16 | C15 | C13 | H5 | 180.0° | 179.7° |
| C15 | N16 | C14 | H6 | 180.0° | 179.9° |
| N12 | C11 | C9 | H3 | 119.9° | 120.0° |
| N12 | C11 | C9 | H4 | 119.9° | 120.0° |
| C11 | N12 | C14 | N16 | 179.9° | 180.0° |
| N12 | C11 | C9 | C7 | 153.5° | 180.0° |
| N12 | C11 | H3 | H4 | 120.4° | 120.0° |
| C11 | N12 | C13 | H5 | 0.0° | 0.3° |
| C11 | N12 | C14 | H6 | 0.1° | 0.0° |
| N12 | C11 | C9 | H12 | 86.2° | 60.0° |
| N12 | C11 | C9 | H13 | 33.3° | 60.0° |
| C14 | N12 | C11 | C9 | 122.1° | 90.1° |
| N12 | C14 | N16 | H6 | 180.0° | 179.9° |
| C14 | N12 | C11 | H3 | 118.0° | 150.0° |
| C14 | N12 | C11 | H4 | 2.2° | 30.0° |
| C14 | N12 | C13 | H5 | 179.9° | 179.7° |
| C11 | C9 | C7 | H12 | 120.3° | 120.0° |
| C11 | C9 | C7 | H13 | 120.3° | 119.9° |
| C11 | C9 | C7 | O4 | 161.1° | 180.0° |
| C9 | C11 | H3 | H4 | 120.4° | 120.0° |
| C11 | C9 | C7 | H10 | 79.0° | 60.0° |
| C11 | C9 | C7 | H11 | 41.2° | 60.0° |
| C11 | C9 | H12 | H13 | 119.2° | 120.0° |
| C14 | N16 | C15 | H7 | 180.0° | 179.9° |
| C9 | C7 | O4 | H10 | 119.9° | 120.0° |
| C9 | C7 | O4 | H11 | 119.9° | 120.0° |
| C9 | C7 | O4 | C1 | 154.3° | 180.0° |
| C7 | C9 | C11 | H3 | 33.7° | 60.0° |
| C7 | C9 | C11 | H4 | 86.6° | 60.0° |
| C9 | C7 | H10 | H11 | 120.4° | 120.1° |
| C7 | C9 | H12 | H13 | 119.2° | 120.0° |
| C7 | O4 | C1 | C2 | 13.8° | 0.3° |
| C7 | O4 | C1 | C3 | 166.2° | 180.0° |
| O4 | C7 | H10 | H11 | 120.4° | 120.0° |
| O4 | C7 | C9 | H12 | 40.8° | 60.0° |
| O4 | C7 | C9 | H13 | 78.7° | 60.0° |
| C5 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C5 | C8 | H8 | 180.0° | 180.0° |
| C5 | C2 | C1 | O4 | 180.0° | 179.7° |
| C5 | C2 | C1 | C3 | 0.0° | 0.0° |
| C2 | C5 | C8 | CL10 | 179.8° | 179.9° |
| C2 | C5 | C8 | C6 | 0.2° | 0.0° |
| C1 | C2 | C5 | C8 | 0.0° | 0.0° |
| C2 | C1 | O4 | C3 | 180.0° | 179.7° |
| C2 | C1 | C3 | C6 | 0.1° | 0.0° |
| C2 | C1 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C5 | H8 | 180.0° | 180.0° |
| C5 | C8 | CL10 | C6 | 179.6° | 179.9° |
| C5 | C8 | C6 | C3 | 0.4° | 0.0° |
| C8 | C5 | C2 | H1 | 179.9° | 179.9° |
| C5 | C8 | C6 | H9 | 179.7° | 179.9° |
| O4 | C1 | C3 | C6 | 179.9° | 179.7° |
| O4 | C1 | C2 | H1 | 0.0° | 0.3° |
| O4 | C1 | C3 | H2 | 0.0° | 0.3° |
| C1 | O4 | C7 | H10 | 85.8° | 60.0° |
| C1 | O4 | C7 | H11 | 34.4° | 60.0° |
| C1 | C3 | C6 | C8 | 0.3° | 0.0° |
| C1 | C3 | C6 | H2 | 180.0° | 180.0° |
| C3 | C1 | C2 | H1 | 180.0° | 179.9° |
| C1 | C3 | C6 | H9 | 179.7° | 179.9° |
| CL10 | C8 | C6 | C3 | 179.9° | 179.9° |
| CL10 | C8 | C5 | H8 | 0.2° | 0.0° |
| CL10 | C8 | C6 | H9 | 0.1° | 0.1° |
| C8 | C6 | C3 | H9 | 180.0° | 179.9° |
| C8 | C6 | C3 | H2 | 179.8° | 180.0° |
| C6 | C8 | C5 | H8 | 179.8° | 180.0° |
| H1 | C2 | C5 | H8 | 0.1° | 0.0° |
| H2 | C3 | C6 | H9 | 0.2° | 0.0° |
| H3 | C11 | C9 | H12 | 154.0° | 60.0° |
| H3 | C11 | C9 | H13 | 86.6° | 180.0° |
| H4 | C11 | C9 | H12 | 33.7° | 180.0° |
| H4 | C11 | C9 | H13 | 153.1° | 60.0° |
| H5 | C13 | C15 | H7 | 0.1° | 0.4° |
| H10 | C7 | C9 | H12 | 160.7° | 180.0° |
| H10 | C7 | C9 | H13 | 41.2° | 59.9° |
| H11 | C7 | C9 | H12 | 79.0° | 60.0° |
| H11 | C7 | C9 | H13 | 161.5° | 180.0° |
