PIM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.40Å | Aromatic |
| N1 | C5 | sing | 1.38Å | 1.34Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N3 | doub | 1.30Å | 1.24Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.34Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.35Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.48Å | 1.51Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 106.5° | 107.1° |
| C2 | N1 | HN1 | 128.2° | 126.4° |
| N1 | C2 | N3 | 108.4° | 108.9° |
| N1 | C2 | H2 | 130.4° | 125.5° |
| C5 | N1 | HN1 | 125.3° | 126.5° |
| N1 | C5 | C4 | 105.8° | 106.5° |
| N1 | C5 | C6 | 123.2° | 126.7° |
| N3 | C2 | H2 | 121.2° | 125.5° |
| C2 | N3 | C4 | 110.5° | 109.6° |
| N3 | C4 | C5 | 108.7° | 107.9° |
| N3 | C4 | H4 | 124.9° | 126.1° |
| C5 | C4 | H4 | 126.5° | 126.0° |
| C4 | C5 | C6 | 130.9° | 126.8° |
| C5 | C6 | C7 | 118.6° | 120.1° |
| C5 | C6 | C11 | 120.3° | 120.2° |
| C7 | C6 | C11 | 120.7° | 119.7° |
| C6 | C7 | C8 | 118.6° | 119.8° |
| C6 | C7 | H7 | 120.2° | 120.1° |
| C6 | C11 | C10 | 122.1° | 119.9° |
| C6 | C11 | H11 | 117.0° | 120.0° |
| C8 | C7 | H7 | 121.2° | 120.1° |
| C7 | C8 | C9 | 118.6° | 120.2° |
| C7 | C8 | H8 | 121.7° | 120.0° |
| C9 | C8 | H8 | 119.6° | 119.8° |
| C8 | C9 | C10 | 122.1° | 120.2° |
| C8 | C9 | H9 | 118.9° | 119.9° |
| C10 | C9 | H9 | 119.0° | 119.8° |
| C9 | C10 | C11 | 117.2° | 120.2° |
| C9 | C10 | H10 | 121.1° | 119.9° |
| C11 | C10 | H10 | 121.6° | 119.9° |
| C10 | C11 | H11 | 120.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | HN1 | 180.0° | 179.8° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.3° | 0.1° |
| C2 | N1 | C5 | C4 | 2.9° | 0.3° |
| C2 | N1 | C5 | C6 | 179.1° | 180.0° |
| C5 | N1 | C2 | N3 | 2.6° | 0.2° |
| C5 | N1 | C2 | H2 | 177.3° | 179.8° |
| N1 | C5 | C4 | N3 | 2.2° | 0.4° |
| N1 | C5 | C4 | C6 | 177.9° | 179.6° |
| N1 | C5 | C4 | H4 | 177.9° | 179.9° |
| N1 | C5 | C6 | C7 | 58.8° | 139.7° |
| N1 | C5 | C6 | C11 | 114.1° | 40.7° |
| HN1 | N1 | C2 | N3 | 177.4° | 180.0° |
| HN1 | N1 | C2 | H2 | 2.6° | 0.0° |
| HN1 | N1 | C5 | C4 | 177.2° | 179.9° |
| HN1 | N1 | C5 | C6 | 0.9° | 0.2° |
| C2 | N3 | C4 | C5 | 0.5° | 0.3° |
| C2 | N3 | C4 | H4 | 179.5° | 180.0° |
| H2 | C2 | N3 | C4 | 178.7° | 179.9° |
| N3 | C4 | C5 | H4 | 179.9° | 179.7° |
| N3 | C4 | C5 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 123.6° | 39.9° |
| C4 | C5 | C6 | C11 | 63.4° | 139.7° |
| H4 | C4 | C5 | C6 | 0.0° | 0.3° |
| C5 | C6 | C7 | C11 | 172.9° | 179.6° |
| C5 | C6 | C7 | C8 | 175.5° | 180.0° |
| C5 | C6 | C7 | H7 | 4.6° | 0.1° |
| C5 | C6 | C11 | C10 | 177.8° | 179.7° |
| C5 | C6 | C11 | H11 | 2.3° | 0.2° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 3.2° | 0.1° |
| C6 | C7 | C8 | H8 | 176.8° | 179.9° |
| C7 | C6 | C11 | C10 | 5.0° | 0.6° |
| C7 | C6 | C11 | H11 | 175.1° | 179.9° |
| C11 | C6 | C7 | C8 | 2.5° | 0.4° |
| C11 | C6 | C7 | H7 | 177.5° | 179.7° |
| C6 | C11 | C10 | C9 | 7.8° | 0.6° |
| C6 | C11 | C10 | H11 | 179.9° | 179.5° |
| C6 | C11 | C10 | H10 | 172.1° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 6.4° | 0.1° |
| C7 | C8 | C9 | H9 | 173.6° | 180.0° |
| H7 | C7 | C8 | C9 | 176.9° | 180.0° |
| H7 | C7 | C8 | H8 | 3.2° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 8.6° | 0.4° |
| C8 | C9 | C10 | H10 | 171.4° | 179.9° |
| H8 | C8 | C9 | C10 | 173.5° | 179.9° |
| H8 | C8 | C9 | H9 | 6.5° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 172.2° | 179.9° |
| H9 | C9 | C10 | C11 | 171.4° | 179.8° |
| H9 | C9 | C10 | H10 | 8.6° | 0.1° |
| H10 | C10 | C11 | H11 | 7.8° | 0.2° |
