-ISIS-  08091621332D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.0083   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.1792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
>  <ID> (BBL000778)
BBL000778

>  <Rotatable_Bonds> (BBL000778)
3

>  <PSA> (BBL000778)
20.23

>  <H_Donors> (BBL000778)
1

>  <H_Acceptors> (BBL000778)
1

>  <Number_of_rings> (BBL000778)
1

>  <Mol_Weight> (BBL000778)
259.17

>  <Mol_Formula> (BBL000778)
C11H17BrNO

>  <Smiles> (BBL000778)
Oc1ccc(cc1CC[N](C)(C)C)Br

$$$$