21
aspirin
O     0.7821     4.3219     4.9649   
O    -0.5272     4.5691     6.6020   
C     0.4427     5.0883     6.0081   
C     1.0228     6.3146     6.3896   
C     2.1330     6.8588     5.6931   
O     2.8023     6.2292     4.6938   
C     2.6211     8.1356     6.0277   
C     0.9966     8.3146     7.8237   
H    -0.3083     6.6848     8.0128   
C     0.4810     7.0546     7.4740   
C     3.6352     5.1872     4.9079   
C     2.0623     8.8613     7.0940   
H     3.3963     8.5283     5.4906   
H     0.5866     8.8412     8.6013   
O     3.9094     4.7941     6.0632   
C     4.2281     4.5327     3.7638   
H     2.4227     9.7890     7.3367   
H     3.4269     4.1906     3.1183   
H     4.8283     3.6848     4.0792   
H     4.8498     5.2464     3.2337   
H     0.2310     3.5173     4.8778