
  Symyx   10311419032D 1   1.00000     0.00000     0

 26 27  0     0  0            999 V2000
   15.5301   -3.0610    0.0000 C   0  0  0  0  0  0           0  0  0
   14.8724   -3.9677    0.0000 C   0  0  0  0  0  0           0  0  0
   13.4791   -3.8233    0.0000 O   0  0  0  0  0  0           0  0  0
   12.6567   -4.9572    0.0000 C   0  0  0  0  0  0           0  0  0
   13.1134   -5.9799    0.0000 O   0  0  0  0  0  0           0  0  0
   11.2634   -4.8128    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4409   -5.9467    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0499   -5.8026    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1124   -6.8425    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8516   -6.2619    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9810   -4.8799    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3507   -4.5897    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6380   -6.9616    0.0000 S   0  0  3  0  0  0           0  0  0
    5.6376   -8.0816    0.0000 O   0  0  0  0  0  0           0  0  0
    6.6077   -7.5221    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4249   -6.2612    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4249   -4.8612    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2124   -4.1611    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0000   -4.8612    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0000   -6.2612    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2124   -6.9612    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6895   -3.5350    0.0000 C   0  0  0  0  0  0           0  0  0
   11.3452   -2.6269    0.0000 O   0  0  0  0  0  0           0  0  0
    9.2960   -3.3921    0.0000 O   0  0  0  0  0  0           0  0  0
    8.7222   -2.1142    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6080   -2.0000    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  4  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12  8  2  0     0  0
 10 13  1  0     0  0
 13 14  2  0     0  0
 13 15  2  0     0  0
 13 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
  6 22  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
M  END
>  <ID>
compound_c

$$$$

  Symyx   10311419032D 1   1.00000     0.00000     0

 32 33  0     1  0            999 V2000
    9.0372  -12.0774    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0353  -10.9794    0.0000 C   0  0  1  0  0  0           0  0  0
   10.2523  -10.2656    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4693  -10.9794    0.0000 C   0  0  0  0  0  0           0  0  0
   12.6955  -10.2656    0.0000 C   0  0  0  0  0  0           0  0  0
   12.6955   -8.8656    0.0000 C   0  0  3  0  0  0           0  0  0
   11.4693   -8.1611    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2523   -8.8656    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0353   -8.1611    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8092   -8.8656    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6196   -8.1611    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3935   -8.8656    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1765   -8.1611    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9504   -8.8656    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0000   -8.3156    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9504  -10.2656    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1765  -10.9794    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1783  -12.0774    0.0000 O   0  0  0  0  0  0           0  0  0
    5.3935  -10.2656    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6196  -10.9794    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6270  -12.0774    0.0000 O   0  0  0  0  0  0           0  0  0
    7.8092  -10.2656    0.0000 O   0  0  0  0  0  0           0  0  0
   13.8842   -8.1787    0.0000 N   0  0  0  0  0  0           0  0  0
   13.8846   -6.8054    0.0000 C   0  0  0  0  0  0           0  0  0
   15.0738   -6.1184    0.0000 C   0  0  0  0  0  0           0  0  0
   15.0742   -4.7451    0.0000 C   0  0  0  0  0  0           0  0  0
   16.2617   -4.0567    0.0000 C   0  0  0  0  0  0           0  0  0
   16.2593   -2.6841    0.0000 C   0  0  0  0  0  0           0  0  0
   15.0695   -2.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   13.8820   -2.6882    0.0000 C   0  0  0  0  0  0           0  0  0
   13.8844   -4.0608    0.0000 C   0  0  0  0  0  0           0  0  0
   18.5493   -7.1763    0.0000 Cl  0  0  0  0  0  0           0  0  0
  2  1  1  6     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
 19 12  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 20 22  1  0     0  0
 22  2  1  0     0  0
  6 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 26  1  0     0  0
M  END
>  <ID>
compound_a

$$$$

  Symyx   10311419032D 1   1.00000     0.00000     0

 28 32  0     0  0            999 V2000
    6.6427  -10.0215    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8333   -9.1356    0.0000 C   0  0  3  0  0  0           0  0  0
    6.2863   -7.7057    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2746   -6.5986    0.0000 N   0  0  3  0  0  0           0  0  0
    3.8095   -6.9210    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3565   -8.3510    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3684   -9.4583    0.0000 N   0  0  3  0  0  0           0  0  0
    3.9151  -10.8889    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4507  -11.2140    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0000  -12.6447    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0136  -13.7504    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4780  -13.4254    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2889  -14.3100    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9287  -11.9948    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7172   -5.1646    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7014   -4.0511    0.0000 N   0  0  0  0  0  0           0  0  0
    5.1898   -2.5860    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6549   -2.2539    0.0000 N   0  0  0  0  0  0           0  0  0
    7.6707   -3.3674    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2018   -4.8130    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4130   -5.6530    0.0000 N   0  0  0  0  0  0           0  0  0
    9.6046   -4.7544    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9916   -5.3014    0.0000 C   0  0  0  0  0  0           0  0  0
   12.3004   -4.5395    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5153   -3.1135    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4995   -2.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9953   -2.0977    0.0000 C   0  0  0  0  0  0           0  0  0
    9.1553   -3.3674    0.0000 N   0  0  3  0  0  0           0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  2  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 14  8  1  0     0  0
  4 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 15  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 19  1  0     0  0
 28 22  1  0     0  0
M  END
>  <ID>
compound_b

$$$$
