YMQLIN0080
     RDKit          3D

 54 55  0  0  1  0  0  0  0  0999 V2000
   -0.2857    5.9403   -4.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0349    3.7851   -3.6263 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1514    2.6830   -2.5095 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3335    1.5830   -1.3886 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5078   -2.3931    0.3938 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.3508   -1.2213    0.6673 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8632    0.7629    0.8234 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5813    0.6399   -0.3221 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.6962   -0.0538   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3062   -2.5368    0.3215 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.8786   -1.6855    0.5452 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.8637   -0.9349    0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4904    1.0889    0.9732 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2405    0.6841    1.0588 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2928    0.4100   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274    0.4483    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062   -0.2973    1.1885 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9341   -2.0441    0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0554   -0.8006    0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2073   -1.4364    1.8455 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.4753   -0.6968    0.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3930   -1.1306    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0962    0.2464    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1879   -0.0167   -1.4020 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.3027    0.5041    2.3706 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.9796   -1.2922    0.7641 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.6279   -0.6611    0.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5160    0.2893    0.2534 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5716   -0.1056   -1.1829 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9412    1.9531    2.5807 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.1544   -0.1833    3.8194 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.2270    0.1052    0.1278 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.1726   -0.5886    1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8646   -2.6007    0.2153 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.6754   -2.8491   -1.3190 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.8962   -3.9080    1.0737 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.1862    6.9224   -5.6112 N   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1554    6.3729   -3.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079    4.7531   -4.7212 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.1832    0.0415   -1.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9727    0.5100   -0.7257 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.8048   -0.9720    1.1606 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.5736   -1.0391    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153    0.0268    0.3905 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.4606   -3.1974    0.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5512   -1.4103    1.9428 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9938   -0.3167    0.7332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8288    0.4561    0.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1946    0.2179    1.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014   -2.7671   -0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2648   -1.1409    0.2828 O   0  0  0  0  0  1  0  0  0  0  0  0
   16.5723    0.1862    0.1691 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9685   -0.5173    1.1765 S   0  0  0  0  0  1  0  0  0  0  0  0
  -10.2077   -1.8133    0.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0
  1 38  2  0
  1 39  1  0
  2  3  1  0
  2 39  1  0
  3  4  1  0
  5 11  1  0
  5 45  1  0
  6 11  1  0
  6 12  1  0
  7 14  2  0
  7 15  1  0
  8  4  1  0
  8 16  1  0
  8 44  1  0
  9 40  2  0
  9 44  1  0
 10 18  1  0
 10 45  1  0
 12 19  3  0
 13 47  1  0
 14 23  1  0
 15 24  2  0
 15 41  1  0
 16 41  1  0
 16 49  2  0
 17  9  1  0
 17 25  1  0
 17 42  1  0
 18 42  1  0
 18 50  2  0
 19 21  1  0
 20 21  2  0
 20 46  1  0
 21 32  1  0
 22 43  2  0
 22 51  1  0
 23 28  1  0
 23 29  2  0
 24 29  1  0
 25 30  1  0
 25 31  1  0
 26 22  1  0
 26 34  1  0
 26 47  1  0
 27 47  1  0
 27 48  1  0
 27 54  2  0
 28 48  1  0
 32 52  2  0
 33 46  2  0
 33 52  1  0
 33 53  1  0
 34 35  1  0
 34 36  1  0
M  RAD  8   2   3   3   3   4   3   5   3   6   3   7   2   8   2  10   3
M  RAD  8  11   3  13   2  14   2  17   2  20   2  24   2  25   2  26   2
M  RAD  8  28   3  29   2  30   2  31   2  32   2  34   2  35   2  36   2
M  RAD  7  37   3  39   2  41   2  42   2  44   2  51   2  53   2
M  END
$$$$
