Mol:Atropine

 
  ACD/Labs01040811432D 
 
 21 23  0  0  1  0  0  0  0  0  1 V2000 
   18.5399   -8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.2278   -8.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   19.6116   -8.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.5399   -9.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.9489  -10.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.9489   -9.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.2770   -8.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3346   -9.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.1939   -7.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3148  -10.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.4544  -11.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.4302  -12.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.6180  -10.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.6422   -9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.8058   -8.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.7576  -11.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.9213  -10.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.7335  -12.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.0609  -11.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.8730  -13.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.0367  -12.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  5  6  1  0  0  0  0 
  4  5  1  0  0  0  0 
  3  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 17 16  1  0  0  0  0 
 18 16  2  0  0  0  0 
 19 17  2  0  0  0  0 
 20 18  1  0  0  0  0 
 21 19  1  0  0  0  0 
 21 20  2  0  0  0  0 
 13 16  1  0  0  0  0 
  8  7  1  1  0  0  0 
  6  7  1  1  0  0  0 
  2  6  1  1  0  0  0 
S  SKP  5 
ID	Atropine 
FORMULA	C17H23NO3 
EXACTMASS	289.167793607 
AVERAGEMASS	289.36946 
SMILES	OCC(C(=O)OC(C2)CC(C3)N(C)C(C3)2)c(c1)cccc1 
M  END