RP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | N7 | doub | 1.34Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C12 | sing | 1.51Å | 1.50Å | |
| C6 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| N7 | C8 | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N10 | sing | 1.39Å | 1.39Å | |
| C9 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 1.01Å | 1.00Å | |
| N13 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.8° | 119.1° |
| C2 | C1 | N7 | 120.5° | 121.0° |
| C1 | C2 | C3 | 119.3° | 119.8° |
| C1 | C2 | H2 | 120.4° | 120.1° |
| C6 | C1 | N7 | 118.7° | 119.9° |
| C1 | C6 | C5 | 118.0° | 119.6° |
| C1 | C6 | C11 | 119.9° | 119.2° |
| C1 | N7 | C8 | 122.2° | 121.3° |
| C2 | C3 | C4 | 120.2° | 121.0° |
| C3 | C2 | H2 | 120.4° | 120.1° |
| C2 | C3 | H3 | 119.9° | 119.5° |
| C3 | C4 | C5 | 121.4° | 120.9° |
| C4 | C3 | H3 | 119.9° | 119.5° |
| C3 | C4 | H4 | 119.3° | 119.5° |
| C4 | C5 | C6 | 120.4° | 119.7° |
| C4 | C5 | C12 | 121.6° | 120.2° |
| C5 | C4 | H4 | 119.3° | 119.6° |
| C6 | C5 | C12 | 118.0° | 120.1° |
| C5 | C6 | C11 | 122.1° | 121.3° |
| C5 | C12 | N13 | 112.2° | 109.5° |
| C5 | C12 | H121 | 108.8° | 109.4° |
| C5 | C12 | H122 | 108.8° | 109.5° |
| C6 | C11 | C9 | 118.2° | 118.3° |
| C6 | C11 | H11 | 120.9° | 120.9° |
| N7 | C8 | C9 | 122.7° | 121.5° |
| N7 | C8 | N10 | 116.6° | 119.3° |
| C9 | C8 | N10 | 120.7° | 119.2° |
| C8 | C9 | C11 | 118.3° | 119.9° |
| C8 | C9 | H9 | 120.9° | 120.1° |
| C8 | N10 | H101 | 109.5° | 120.0° |
| C8 | N10 | H102 | 109.5° | 120.1° |
| C9 | C11 | H11 | 120.9° | 120.9° |
| C11 | C9 | H9 | 120.9° | 120.1° |
| N13 | C12 | H121 | 108.8° | 109.5° |
| N13 | C12 | H122 | 108.8° | 109.5° |
| C12 | N13 | H13 | 109.5° | 111.0° |
| C12 | N13 | H1 | 109.5° | 111.0° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H101 | N10 | H102 | 109.5° | 119.9° |
| H13 | N13 | H1 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N7 | 179.7° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | C11 | 179.7° | 180.0° |
| C2 | C1 | N7 | C8 | 179.9° | 179.9° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.0° |
| C1 | C6 | C5 | C11 | 179.7° | 180.0° |
| C1 | C6 | C5 | C12 | 178.8° | 180.0° |
| C6 | C1 | N7 | C8 | 0.4° | 0.2° |
| C1 | C6 | C11 | C9 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.4° | 179.9° |
| C1 | C6 | C11 | H11 | 179.8° | 180.0° |
| N7 | C1 | C2 | C3 | 179.8° | 179.8° |
| N7 | C1 | C6 | C5 | 179.6° | 179.7° |
| N7 | C1 | C6 | C11 | 0.1° | 0.3° |
| C1 | N7 | C8 | C9 | 0.9° | 0.0° |
| C1 | N7 | C8 | N10 | 179.6° | 180.0° |
| N7 | C1 | C2 | H2 | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | C12 | 179.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.6° | 180.0° |
| C4 | C5 | C6 | C12 | 177.9° | 180.0° |
| C4 | C5 | C6 | C11 | 179.4° | 180.0° |
| C4 | C5 | C12 | N13 | 1.4° | 100.0° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C5 | C12 | H121 | 121.8° | 20.0° |
| C4 | C5 | C12 | H122 | 119.1° | 140.0° |
| C5 | C6 | C11 | C9 | 179.5° | 179.9° |
| C6 | C5 | C12 | N13 | 176.5° | 80.0° |
| C6 | C5 | C4 | H4 | 178.8° | 180.0° |
| C6 | C5 | C12 | H121 | 56.1° | 160.0° |
| C6 | C5 | C12 | H122 | 63.0° | 40.0° |
| C5 | C6 | C11 | H11 | 0.5° | 0.0° |
| C12 | C5 | C6 | C11 | 1.5° | 0.0° |
| C5 | C12 | N13 | H121 | 120.4° | 119.9° |
| C5 | C12 | N13 | H122 | 120.4° | 120.0° |
| C12 | C5 | C4 | H4 | 1.0° | 0.0° |
| C5 | C12 | H121 | H122 | 118.8° | 120.0° |
| C5 | C12 | N13 | H13 | 180.0° | 56.0° |
| C5 | C12 | N13 | H1 | 60.0° | 179.9° |
| C6 | C11 | C9 | C8 | 0.6° | 0.2° |
| C6 | C11 | C9 | H11 | 180.0° | 179.9° |
| C6 | C11 | C9 | H9 | 179.4° | 180.0° |
| N7 | C8 | C9 | N10 | 179.5° | 180.0° |
| N7 | C8 | C9 | C11 | 1.0° | 0.2° |
| N7 | C8 | C9 | H9 | 179.0° | 179.9° |
| N7 | C8 | N10 | H101 | 0.0° | 0.0° |
| N7 | C8 | N10 | H102 | 120.0° | 180.0° |
| C8 | C9 | C11 | H9 | 180.0° | 179.8° |
| C8 | C9 | C11 | H11 | 179.4° | 179.8° |
| C9 | C8 | N10 | H101 | 179.5° | 180.0° |
| C9 | C8 | N10 | H102 | 59.5° | 0.0° |
| N10 | C8 | C9 | C11 | 179.5° | 179.8° |
| N10 | C8 | C9 | H9 | 0.5° | 0.0° |
| C8 | N10 | H101 | H102 | 120.0° | 180.0° |
| N13 | C12 | H121 | H122 | 118.7° | 120.0° |
| C12 | N13 | H13 | H1 | 120.0° | 123.9° |
| H2 | C2 | C3 | H3 | 0.4° | 0.1° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| H121 | C12 | N13 | H13 | 59.6° | 63.9° |
| H121 | C12 | N13 | H1 | 179.6° | 60.0° |
| H122 | C12 | N13 | H13 | 59.5° | 176.1° |
| H122 | C12 | N13 | H1 | 60.5° | 60.0° |
| H11 | C11 | C9 | H9 | 0.6° | 0.1° |
