B0TS3K
  -OEChem-04022111453D

 41 43  0     0  0  0  0  0  0999 V2000
    4.9070    1.7894   -0.0903 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113   -0.5911   -0.0533 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8791    1.7818    0.0207 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494   -5.4809    0.0337 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    1.0396   -1.0494 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7832    3.2314   -0.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2288    2.4254    1.2798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2301    2.4210   -1.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949    0.7077   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992   -0.5740   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    0.9665   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821    1.1198   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278    1.6892   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8118   -1.8476   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617    1.4677    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175    1.0830   -1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    1.1006    1.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896    1.3336   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4618    1.3511    1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5479    1.4209    1.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.4704   -1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4945   -2.4520    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.1668    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.6978   -1.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680   -3.6794    1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131   -4.3023    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    2.7597   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090    0.9791   -2.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5595    1.0108    2.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156    1.4131   -2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9666    1.4454    2.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    1.8704    1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869    1.8568    2.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6254    0.3403    1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054   -2.0123   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550   -1.9794    2.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7087    0.2941    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3186   -0.3761   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3054   -0.3605    0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651   -4.1830   -2.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4157   -4.1502    2.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3 15  1  0  0  0  0
  3 23  1  0  0  0  0
  4 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 27  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 22 25  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$