SciTegic07110717532D

 23 26  0  0  0  0            999 V2000
    5.7556    3.4012    0.0000 C   0  0
    4.2761    3.6533    0.0000 C   0  0
    3.8595    4.7786    0.0000 O   0  0
    3.3032    2.5367    0.0000 C   0  0  1  0  0  0
    4.5625    1.8067    0.0000 C   0  0
    4.5625    0.3285    0.0000 C   0  0
    2.0440    0.3467    0.0000 C   0  0  2  0  0  0
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    0.8212   -1.8067    0.0000 C   0  0
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   -1.6790   -1.8250    0.0000 C   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -2.9565    0.3102    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
   -2.9731   -1.1442    0.0000 C   0  0
    3.3451    1.0404    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  4  2  1  1
  4  8  1  0
  4  5  1  0
  5  6  1  0
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  7  8  1  0
  8  9  1  0
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 16 17  1  0
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 20 21  1  0
 21 22  1  1
M  END
> <id>
ZINC03814383

> <Cluster>
1

$$$$

  SciTegic07110717532D

 23 26  0  0  0  0            999 V2000
    5.7556    3.4012    0.0000 C   0  0
    4.2761    3.6533    0.0000 C   0  0
    3.8595    4.7786    0.0000 O   0  0
    3.3032    2.5367    0.0000 C   0  0  1  0  0  0
    4.5625    1.8067    0.0000 C   0  0
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   -4.1792   -0.4015    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -0.3737   -1.1238    0.0000 C   0  0
    3.3451    1.0404    0.0000 C   0  0
  1  2  1  0
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 15 16  1  0
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 17 18  1  0
 18 19  1  0
 19 20  2  0
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M  END
> <id>
ZINC03833952

> <Cluster>
1

$$$$

  SciTegic07110717532D

 23 26  0  0  0  0            999 V2000
    5.7556    3.4012    0.0000 C   0  0
    4.2761    3.6533    0.0000 C   0  0
    3.8595    4.7786    0.0000 O   0  0
    3.3032    2.5367    0.0000 C   0  0  1  0  0  0
    4.5625    1.8067    0.0000 C   0  0
    4.5625    0.3285    0.0000 C   0  0
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   -4.1792   -0.4015    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -0.3737   -1.1238    0.0000 C   0  0
    3.3451    1.0404    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
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  4  5  1  0
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  7  8  1  0
  8  9  1  0
  8 23  1  1
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 11 10  1  1
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 15 16  1  0
 16 17  1  0
 16 22  1  1
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
M  END
> <id>
ZINC03833953

> <Cluster>
1

$$$$

  SciTegic07110717532D

 23 26  0  0  0  0            999 V2000
    5.7556    3.4012    0.0000 C   0  0
    4.2761    3.6533    0.0000 C   0  0
    3.8595    4.7786    0.0000 O   0  0
    3.3032    2.5367    0.0000 C   0  0  1  0  0  0
    4.5625    1.8067    0.0000 C   0  0
    4.5625    0.3285    0.0000 C   0  0
    2.0440    0.3467    0.0000 C   0  0  2  0  0  0
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    0.8030    2.5185    0.0000 C   0  0
   -0.4562    1.7885    0.0000 C   0  0
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    0.8030   -0.3650    0.0000 C   0  0  1  0  0  0
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   -4.1792   -1.8432    0.0000 C   0  0  1  0  0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -5.4390   -1.0663    0.0000 O   0  0
   -0.3737   -1.1238    0.0000 C   0  0
    3.3451    1.0404    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
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  4  5  1  0
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  7  8  1  0
  8  9  1  0
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 15 16  1  0
 16 17  1  0
 16 22  1  1
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  1
M  END
> <id>
ZINC03833954

> <Cluster>
1

$$$$

  SciTegic07110717532D

 23 26  0  0  0  0            999 V2000
    4.5988    4.7911    0.0000 C   0  0
    3.3007    4.0378    0.0000 C   0  0
    3.3032    2.5367    0.0000 C   0  0
    2.0464    1.8026    0.0000 C   0  0
    1.0047    2.3982    0.0000 O   0  0
    2.0513    0.3244    0.0000 C   0  0
    4.5697    0.3509    0.0000 C   0  0  2  0  0  0
    4.5649    1.7926    0.0000 C   0  0  2  0  0  0
    5.8035    2.5267    0.0000 C   0  0
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    5.8130   -0.3567    0.0000 C   0  0  1  0  0  0
    5.7995   -1.7985    0.0000 C   0  0
    7.0430   -2.5427    0.0000 C   0  0
    8.2998   -1.8085    0.0000 C   0  0
    9.5615   -2.5526    0.0000 C   0  0
   10.8001   -1.8185    0.0000 C   0  0
   11.8437   -2.4109    0.0000 O   0  0
   10.7953   -0.3768    0.0000 C   0  0
    9.5702    0.3309    0.0000 C   0  0
    8.2950   -0.3668    0.0000 C   0  0  2  0  0  0
    9.5917   -1.1235    0.0000 C   0  0
    3.2663    1.0403    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
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  3  4  1  0
  4  5  2  0
  4  6  1  0
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  7  8  1  0
  8  9  1  0
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 11 10  1  6
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 11 12  1  0
 12 13  1  1
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 15 21  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
M  END
> <id>
ZINC04199917

> <Cluster>
1

$$$$

  SciTegic07110717532D

 23 26  0  0  0  0            999 V2000
    4.5988    4.7911    0.0000 C   0  0
    3.3007    4.0378    0.0000 C   0  0
    3.3032    2.5367    0.0000 C   0  0
    4.5625    1.8067    0.0000 C   0  0
    5.6022    2.4058    0.0000 O   0  0
    4.5625    0.3285    0.0000 C   0  0
    2.0440    0.3467    0.0000 C   0  0  2  0  0  0
    2.0440    1.7885    0.0000 C   0  0  2  0  0  0
    0.8030    2.5185    0.0000 C   0  0
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    0.8030   -0.3650    0.0000 C   0  0  1  0  0  0
    0.8212   -1.8067    0.0000 C   0  0
   -0.4197   -2.5550    0.0000 C   0  0
   -1.6790   -1.8250    0.0000 C   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -2.9565    0.3102    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
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    3.3451    1.0404    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  8  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  1
  7 12  1  0
  7  8  1  0
  8  9  1  0
  8 23  1  1
  9 10  1  0
 11 10  1  1
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 11 12  1  0
 12 13  1  6
 13 14  1  0
 14 15  1  0
 15 21  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  1
M  END
> <id>
ZINC04199918

> <Cluster>
1

$$$$

  SciTegic07110717532D

 24 27  0  0  0  0            999 V2000
    2.0418    3.2897    0.0000 C   0  0
    2.0440    1.7885    0.0000 C   0  0  2  0  0  0
    0.8030    2.5185    0.0000 C   0  0
   -0.4562    1.7885    0.0000 C   0  0
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    0.8030   -0.3650    0.0000 C   0  0  2  0  0  0
    2.0440    0.3467    0.0000 C   0  0  2  0  0  0
    4.5625    0.3285    0.0000 C   0  0
    4.5625    1.8067    0.0000 C   0  0
    3.3032    2.5367    0.0000 C   0  0  2  0  0  0
    4.2761    3.6533    0.0000 C   0  0
    3.8595    4.7786    0.0000 O   0  0
    5.7556    3.4012    0.0000 C   0  0
    6.7144    4.5559    0.0000 O   0  0
    0.8212   -1.8067    0.0000 C   0  0
   -0.4197   -2.5550    0.0000 C   0  0
   -1.6790   -1.8250    0.0000 C   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -2.9565    0.3102    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
   -2.9731   -1.1442    0.0000 C   0  0
  2  1  1  1
  2  7  1  0
  2 10  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5 23  1  0
  5  6  1  0
  6  7  1  0
  6 15  1  6
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  1
 11 12  2  0
 11 13  1  0
 13 14  1  0
 15 16  1  0
 16 17  1  0
 17 23  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  1
M  END
> <id>
ZINC03833823

> <Cluster>
1

$$$$

  SciTegic07110717532D

 26 29  0  0  0  0            999 V2000
    2.0418    3.2897    0.0000 C   0  0
    2.0440    1.7885    0.0000 C   0  0  2  0  0  0
    0.8030    2.5185    0.0000 C   0  0
   -0.4562    1.7885    0.0000 C   0  0  1  0  0  0
   -0.4380    0.3285    0.0000 C   0  0  1  0  0  0
    0.8030   -0.3650    0.0000 C   0  0  2  0  0  0
    2.0440    0.3467    0.0000 C   0  0  2  0  0  0
    4.5625    0.3285    0.0000 C   0  0
    4.5625    1.8067    0.0000 C   0  0
    3.3032    2.5367    0.0000 C   0  0  2  0  0  0
    4.2761    3.6533    0.0000 C   0  0
    3.8595    4.7786    0.0000 O   0  0
    5.7556    3.4012    0.0000 C   0  0
    6.7144    4.5559    0.0000 O   0  0
    1.9993    3.2395    0.0000 O   0  0
    0.8212   -1.8067    0.0000 C   0  0
   -0.4197   -2.5550    0.0000 C   0  0
   -1.6790   -1.8250    0.0000 C   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -2.9565    0.3102    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
   -2.9731   -1.1442    0.0000 C   0  0
   -0.4310    3.2691    0.0000 O   0  0
  2  1  1  1
  2  7  1  0
  2 10  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  1
  4 26  1  1
  5 24  1  0
  5  6  1  0
  6  7  1  0
  6 16  1  6
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 15  1  6
 11 12  2  0
 11 13  1  0
 13 14  1  0
 16 17  1  0
 17 18  1  0
 18 24  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  1
M  END
> <id>
ZINC03833821

> <Cluster>
1

$$$$

  SciTegic07110717532D

 26 29  0  0  0  0            999 V2000
   -2.9731   -1.1442    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
   -2.9565    0.3102    0.0000 C   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
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   -0.4197   -2.5550    0.0000 C   0  0
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   -0.4562    1.7885    0.0000 C   0  0  2  0  0  0
    0.8030    2.5185    0.0000 C   0  0
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    4.5625    0.3285    0.0000 C   0  0
    4.5625    1.8067    0.0000 C   0  0
    3.3032    2.5367    0.0000 C   0  0  2  0  0  0
    4.2761    3.6533    0.0000 C   0  0
    3.8595    4.7786    0.0000 O   0  0
    5.7556    3.4012    0.0000 C   0  0
    6.7144    4.5559    0.0000 O   0  0
    1.9993    3.2395    0.0000 O   0  0
    2.0418    3.2897    0.0000 C   0  0
   -0.4310    3.2691    0.0000 O   0  0
  2  1  1  1
  2  8  1  0
 12  2  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 11 10  1  6
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 11 12  1  0
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 13 14  1  0
 13 26  1  1
 14 15  1  0
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 17 18  1  0
 18 19  1  0
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 19 24  1  6
 20 21  2  0
 20 22  1  0
 22 23  1  0
M  END
> <id>
ZINC03833822

> <Cluster>
1

$$$$

  SciTegic07110717532D

 26 29  0  0  0  0            999 V2000
   -2.9731   -1.1442    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
   -2.9565    0.3102    0.0000 C   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
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   -1.6790   -1.8250    0.0000 C   0  0
   -0.4197   -2.5550    0.0000 C   0  0
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    0.8030   -0.3650    0.0000 C   0  0  2  0  0  0
   -0.4380    0.3285    0.0000 C   0  0  2  0  0  0
   -0.4562    1.7885    0.0000 C   0  0  2  0  0  0
    0.8030    2.5185    0.0000 C   0  0
    2.0440    1.7885    0.0000 C   0  0  1  0  0  0
    2.0440    0.3467    0.0000 C   0  0  1  0  0  0
    4.5625    0.3285    0.0000 C   0  0
    4.5625    1.8067    0.0000 C   0  0
    3.3032    2.5367    0.0000 C   0  0  2  0  0  0
    4.5993    3.2532    0.0000 C   0  0
    4.5927    4.4532    0.0000 O   0  0
    5.9034    2.5103    0.0000 C   0  0
    7.1993    3.2675    0.0000 O   0  0
    2.5554    3.1999    0.0000 C   0  0
    1.7832    4.1184    0.0000 O   0  0
   -0.4310    3.2691    0.0000 O   0  0
  2  1  1  1
  2  8  1  0
 12  2  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 11 10  1  6
 11 16  1  0
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 13 14  1  0
 13 26  1  1
 14 15  1  0
 15 19  1  0
 15 16  1  0
 15 24  1  1
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  2  0
 20 22  1  0
 22 23  1  0
 24 25  2  0
M  END
> <id>
ZINC03833824

> <Cluster>
1

$$$$

  SciTegic07110717532D

 27 30  0  0  0  0            999 V2000
    4.8366    6.1921    0.0000 C   0  0
    3.8240    5.0844    0.0000 C   0  0
    4.2761    3.6533    0.0000 C   0  0
    5.4479    3.3946    0.0000 O   0  0
    3.3032    2.5367    0.0000 C   0  0  2  0  0  0
    4.5625    1.8067    0.0000 C   0  0
    4.5625    0.3285    0.0000 C   0  0
    2.0440    0.3467    0.0000 C   0  0  2  0  0  0
    2.0440    1.7885    0.0000 C   0  0  2  0  0  0
    0.8030    2.5185    0.0000 C   0  0
   -0.4562    1.7885    0.0000 C   0  0  1  0  0  0
   -0.4380    0.3285    0.0000 C   0  0  1  0  0  0
    0.8030   -0.3650    0.0000 C   0  0  1  0  0  0
    0.8212   -1.8067    0.0000 C   0  0
   -0.4197   -2.5550    0.0000 C   0  0
   -1.6790   -1.8250    0.0000 C   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -2.9565    0.3102    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
   -2.9731   -1.1442    0.0000 C   0  0
   -0.4051   -4.0559    0.0000 C   0  0
   -0.4310    3.2691    0.0000 O   0  0
    3.3451    1.0404    0.0000 C   0  0
    1.9993    3.2395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  9  1  0
  5  6  1  0
  5 27  1  1
  6  7  1  0
  8  7  1  1
  8 13  1  0
  8  9  1  0
  9 10  1  0
  9 26  1  1
 10 11  1  0
 12 11  1  1
 11 25  1  1
 12 22  1  0
 12 13  1  0
 13 14  1  6
 14 15  2  0
 15 16  1  0
 15 24  1  0
 16 22  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  1
M  END
> <id>
ZINC03833819

> <Cluster>
1

$$$$

  SciTegic07110717532D

 28 31  0  0  0  0            999 V2000
    5.1598    5.7920    0.0000 C   0  0
    4.1472    4.6843    0.0000 C   0  0
    4.5993    3.2532    0.0000 C   0  0
    5.6120    2.6093    0.0000 O   0  0
    3.3032    2.5367    0.0000 C   0  0  1  0  0  0
    4.5625    1.8067    0.0000 C   0  0  1  0  0  0
    4.5625    0.3285    0.0000 C   0  0
    2.0440    0.3467    0.0000 C   0  0  2  0  0  0
    2.0440    1.7885    0.0000 C   0  0  2  0  0  0
    0.8030    2.5185    0.0000 C   0  0
   -0.4562    1.7885    0.0000 C   0  0  2  0  0  0
   -0.4380    0.3285    0.0000 C   0  0  1  0  0  0
    0.8030   -0.3650    0.0000 C   0  0  1  0  0  0
    0.8212   -1.8067    0.0000 C   0  0
   -0.4197   -2.5550    0.0000 C   0  0
   -1.6790   -1.8250    0.0000 C   0  0
   -2.9382   -2.5732    0.0000 C   0  0
   -4.1792   -1.8432    0.0000 C   0  0
   -5.2209   -2.4390    0.0000 O   0  0
   -4.1792   -0.4015    0.0000 C   0  0
   -2.9565    0.3102    0.0000 C   0  0
   -1.6790   -0.3832    0.0000 C   0  0  2  0  0  0
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   -0.4322   -0.8715    0.0000 F   0  0
   -0.4310    3.2691    0.0000 O   0  0
    3.3451    1.0404    0.0000 C   0  0
    4.5272    3.2867    0.0000 C   0  0
    1.9993    3.2395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  9  1  0
  5  6  1  0
  5 28  1  6
  6  7  1  0
  6 27  1  6
  8  7  1  1
  8 13  1  0
  8  9  1  0
  9 10  1  0
  9 26  1  1
 10 11  1  0
 11 12  1  0
 11 25  1  6
 12 22  1  0
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 12 24  1  6
 13 14  1  6
 14 15  1  0
 15 16  1  0
 16 22  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  1
M  END
> <id>
ZINC03833820

> <Cluster>
1

$$$$

  SciTegic07110717532D

 29 33  0  0  0  0            999 V2000
    1.0799   -6.2497    0.0000 C   0  0
    1.1803   -4.7523    0.0000 C   0  0
    2.0780   -4.3116    0.0000 O   0  0
   -0.0658   -3.9158    0.0000 S   0  0
    0.0000   -2.4353    0.0000 C   0  0  2  0  0  0
   -1.3723   -3.1504    0.0000 C   0  0
   -2.6286   -2.4353    0.0000 C   0  0
   -3.9042   -3.1504    0.0000 C   0  0
   -5.1992   -2.4353    0.0000 C   0  0
   -6.2326   -3.0452    0.0000 O   0  0
   -5.1992   -0.9664    0.0000 C   0  0
   -3.9042   -0.2513    0.0000 C   0  0
   -2.6286   -0.9664    0.0000 C   0  0  1  0  0  0
   -1.3723   -0.2513    0.0000 C   0  0  2  0  0  0
    0.0000   -0.9664    0.0000 C   0  0  1  0  0  0
    1.1983   -0.2513    0.0000 C   0  0  2  0  0  0
    3.7496   -0.2513    0.0000 C   0  0
    3.7496    1.2177    0.0000 C   0  0
    2.4740    1.9521    0.0000 C   0  0  2  0  0  0
    1.1983    1.2177    0.0000 C   0  0  2  0  0  0
    0.0000    1.9521    0.0000 C   0  0
   -1.3723    1.2177    0.0000 C   0  0
    2.4921    0.4557    0.0000 C   0  0
    1.2756    4.0395    0.0000 C   0  0
    2.7059    4.2135    0.0000 C   0  0
    3.4017    3.7882    0.0000 C   0  0
    4.4575    4.3586    0.0000 O   0  0
    3.3630    2.5706    0.0000 O   0  0
   -3.9269   -1.7201    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
 15  5  1  1
  5  6  1  0
  6  7  1  0
  7 13  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 29  1  6
 14 22  1  1
 14 15  1  0
 15 16  1  0
 16 20  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19 28  1  1
 19 20  1  0
 19 24  1  0
 20 21  1  0
 20 23  1  6
 21 22  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
M  END
> <id>
ZINC03833825

> <Cluster>
2

$$$$