BLRJ48
  -OEChem-04022114213D

 50 52  0     0  0  0  0  0  0999 V2000
   -3.2629    0.0945    1.5245 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0237   -0.9624    2.1547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8076    1.2403    2.2814 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998    0.7554    0.7723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    0.6451    0.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -1.7959    0.0215 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279   -1.1760   -0.3158 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819   -0.6024   -0.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758    1.6247   -0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245    1.0635    0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0787    1.7624   -2.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2576    1.1921   -0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5413    2.1613   -1.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -0.6388    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5393   -0.2379    0.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192   -2.1392   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1806   -1.1873   -0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1725   -2.5457   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112   -3.3485   -1.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249   -0.2341    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182    0.0644   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -0.4537   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0800    1.2395    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3945    0.2033   -0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2989    1.8968    0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4562    1.3786    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519    1.2981   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342    2.5954   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5388    2.0155    0.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0362    0.3110    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0266    0.8081   -2.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628    2.5092   -2.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3207    0.2073   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2840    1.5341   -0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0423    2.1766   -2.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5988    3.1775   -1.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601    0.6467    1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0443   -3.2503   -1.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9823   -1.8687   -0.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085   -3.0974    0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -3.5303   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136   -3.2478   -2.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8954   -4.2410   -0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578   -1.9477   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172   -1.4518   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1411   -1.3687   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2312    1.7037    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956   -0.2000   -1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486    2.8120    1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4053    1.8903    0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  4 20  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  7 44  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 45  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$