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6e13_ligand
     RDKit          3D

 37 37  0  0  0  0  0  0  0  0999 V2000
   -4.2433    0.7295   -2.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8055    0.6280   -1.6195 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3231   -0.8024   -1.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879   -1.1366   -1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606   -0.3905   -1.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965   -0.6715   -0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206    1.6379   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    1.1112    1.2772 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9992    2.2879    2.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4834   -1.7313   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -2.5058    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -2.2162   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653    0.9272   -0.1246 N   0  0  0  0  0  4  0  0  0  0  0  0
    4.2148    0.3099    1.2890 N   0  0  0  0  0  4  0  0  0  0  0  0
   -5.0496    1.0639   -1.2684 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.4115    0.4542   -3.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222    3.0685    2.2832 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.0842    2.2353    2.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532   -2.0303    0.5875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -3.5421    1.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7971    0.3435   -1.4063 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460    1.3896   -2.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0791   -1.5183   -1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296   -0.9791   -2.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983    0.4179   -2.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6087    2.0530   -0.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074    2.4499   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    0.4369    1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450   -2.8252   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427    1.8185    0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012    1.0681   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952    0.1602    0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504    0.5820    2.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218   -0.6946    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    0.6135    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -2.8735    1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762   -4.1135    1.0296 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  6
  3 23  1  0
  3 24  1  0
  5 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  1
 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

$$$$