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6e13_ligand
     RDKit          3D

 37 37  0  0  0  0  0  0  0  0999 V2000
   -2.3677    1.7024   -1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9976    0.2665   -1.2976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0984   -0.8572   -1.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0127   -1.4062   -0.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -0.8429    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574   -1.2606    1.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316    0.6713    1.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714    1.5085    0.4663 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2158    2.3955    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900   -2.3464    0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8261   -2.9598   -0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -2.4911   -1.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    0.3334   -2.1917 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.7621    2.3804    0.6971 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.2733    1.8881   -0.6918 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.1533    2.5110   -1.8703 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888    3.6260    0.1694 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.3164    1.8163    0.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   -2.8438    1.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5462   -4.0188   -1.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555   -0.3023    2.4530 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892    0.0483   -0.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6099   -0.5114   -2.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7350   -1.7098   -2.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510   -0.0194    0.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151    1.3184    2.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1362   -0.0329    1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7579    0.8996   -0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4698   -2.9670   -2.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3742    1.3781   -2.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0744    0.0425   -3.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0908   -0.0693   -1.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    2.1957    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    3.3302    0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202    2.4146    1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -2.3366    2.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741   -4.1352   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  1 15  1  0
  1 16  2  0
  3  2  1  0
  2 13  1  0
  4  3  1  0
  5  4  2  0
  4 12  1  0
  6  5  1  0
  6 10  2  0
 21  6  1  0
  7  8  1  0
  7 21  1  0
  8  9  1  0
  8 14  1  0
  9 17  1  0
  9 18  2  0
 10 11  1  0
 10 19  1  0
 11 12  2  0
 11 20  1  0
  2 22  1  1
  3 23  1  0
  3 24  1  0
  5 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  6
 12 29  1  0
 13 30  1  0
 13 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 14 35  1  0
 19 36  1  0
 20 37  1  0
M  CHG  4  13   1  14   1  15  -1  17  -1
M  END
>  <_TriposChargeType>  (1) 
GAST_HUCK

$$$$