B5QG4O
  -OEChem-04012119412D

 53 53  0     0  0  0  0  0  0999 V2000
   10.5711    3.4481    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2051    3.8141    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5711    5.1802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    4.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    2.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8093    7.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0773    7.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8032    4.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9371    5.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    2.6437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    3.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005    5.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120    2.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606    5.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    2.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    3.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    3.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005    1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9491    6.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977    8.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6579    8.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0711    4.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9371    4.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817    5.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    5.0844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1794    5.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5699    5.8238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    1.5445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5538    3.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    1.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817    0.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5011    0.9237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    5.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    5.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.5445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    1.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789    8.7991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1884    8.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9741    8.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1912    9.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    9.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3401    4.6241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5 22  1  0  0  0  0
  5 26  1  0  0  0  0
  6 24  1  0  0  0  0
  6 27  1  0  0  0  0
  7 24  2  0  0  0  0
  8 30  1  0  0  0  0
  8 53  1  0  0  0  0
  9 30  2  0  0  0  0
 10 16  2  0  0  0  0
 10 20  1  0  0  0  0
 11 23  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 13 20  2  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 23  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 24  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
M  END

$$$$