8PN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | trip | 1.17Å | 1.18Å | |
| C03 | C02 | sing | 1.47Å | 1.47Å | |
| C02 | N05 | sing | 1.47Å | 1.44Å | |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.05Å | 1.06Å | |
| N05 | H6 | sing | 1.01Å | 1.00Å | |
| N05 | H7 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 172.9° | 180.0° |
| C03 | C04 | H5 | 180.0° | 179.9° |
| C03 | C02 | N05 | 115.9° | 109.5° |
| C03 | C02 | C01 | 108.3° | 109.5° |
| C03 | C02 | H4 | 109.1° | 109.5° |
| N05 | C02 | C01 | 106.0° | 109.5° |
| N05 | C02 | H4 | 109.5° | 109.4° |
| C02 | N05 | H6 | 109.5° | 111.0° |
| C02 | N05 | H7 | 109.4° | 111.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.8° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H6 | N05 | H7 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | N05 | 32.2° | 47.6° |
| C04 | C03 | C02 | C01 | 151.1° | 72.5° |
| C04 | C03 | C02 | H4 | 91.9° | 167.5° |
| C03 | C02 | N05 | C01 | 120.1° | 120.0° |
| C03 | C02 | N05 | H4 | 123.9° | 120.0° |
| C03 | C02 | C01 | H4 | 117.9° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C02 | C03 | C04 | H5 | 83.4° | 161.3° |
| C03 | C02 | N05 | H6 | 180.0° | 56.1° |
| C03 | C02 | N05 | H7 | 60.0° | 180.0° |
| N05 | C02 | C01 | H4 | 117.2° | 119.9° |
| N05 | C02 | C01 | H1 | 55.1° | 60.0° |
| N05 | C02 | C01 | H2 | 65.0° | 180.0° |
| N05 | C02 | C01 | H3 | 175.0° | 60.0° |
| C02 | N05 | H6 | H7 | 120.0° | 124.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | N05 | H6 | 59.9° | 64.0° |
| C01 | C02 | N05 | H7 | 179.9° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 62.1° | 180.0° |
| H2 | C01 | C02 | H4 | 177.9° | 60.1° |
| H3 | C01 | C02 | H4 | 57.9° | 59.9° |
| H4 | C02 | N05 | H6 | 56.1° | 176.1° |
| H4 | C02 | N05 | H7 | 63.9° | 60.0° |
