| 15 | |
| test structure for adenine | |
| N -3.34715 2.34204 -0.00000 | |
| C -3.23761 0.97384 0.00000 | |
| C -2.24176 3.14648 0.00000 | |
| C -0.99763 2.52620 -0.00000 | |
| C -0.91520 1.17525 -0.00000 | |
| N -2.00778 0.37518 0.00000 | |
| N 0.23656 3.06079 0.00000 | |
| C 1.05321 1.97301 0.00000 | |
| N 0.36885 0.80238 0.00000 | |
| N -2.37477 4.55418 0.00000 | |
| H -4.13074 0.36437 -0.00000 | |
| H 2.13330 2.03626 -0.00000 | |
| H -3.31031 4.98544 -0.00000 | |
| H -1.54403 5.16377 -0.00000 | |
| H 0.75715 -0.16672 -0.00000 | |