Mrv1652309042000172D          

 43 46  0  0  0  0            999 V2000
    1.8296   -1.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0046   -1.3329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8692   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -2.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858    1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    0.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110    2.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2120    0.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5475    1.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713    1.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995   -1.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745   -1.3329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4870   -3.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -3.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870   -5.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -4.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9159   -5.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349   -2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0489    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2818    0.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093    1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0809    2.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    2.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2419    0.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412    1.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3146   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -3.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -3.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -5.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -4.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -5.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 37  1  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  6  2  2  0  0  0  0
  3  2  1  0  0  0  0
  2 27  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 39  1  0  0  0  0
 15  7  2  0  0  0  0
  7  9  1  0  0  0  0
 10  7  1  0  0  0  0
  8 37  2  0  0  0  0
  9  8  1  0  0  0  0
 12  8  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 27  2  0  0  0  0
 18 16  1  0  0  0  0
 21 16  1  0  0  0  0
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 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19 21  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
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 28 34  1  0  0  0  0
 29 28  1  0  0  0  0
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 31 29  2  0  0  0  0
 29 30  1  0  0  0  0
 31 35  1  0  0  0  0
 31 32  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 39 40  1  0  0  0  0
 40 42  1  0  0  0  0
 42 41  1  0  0  0  0
 42 43  2  0  0  0  0
M  END