14 13  0  0  0  0  0  0  0  0  1 V2000
   -2.6409    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919   -0.0797    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0630   -0.5596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7267   -0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4659    0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9441    1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -0.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0692   -1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.1190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    0.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9988   -1.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.1218    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0965   -0.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1110   -0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  1  1  0  0  0
  5  6  1  0  0  0
  2  7  1  0  0  0
  3  8  1  0  0  0
  9 10  2  0  0  0
  9 11  2  0  0  0
  9 12  1  0  0  0
  9 13  1  0  0  0
 13 14  1  0  0  0
M  END
> <COPYRIGHT>
(C) 2008 SIGMA-ALDRICH CO. 

> <MDL>
MFCD08064286

> <BRAND1>
FLUKA

> <PRODUCT1>
56595

> <BRAND2>
-

> <PRODUCT2>
-

> <BRAND3>
-

> <PRODUCT3>
-

> <TERMINAL_NODE>
16256017

$$$$