LGEH45
  -OEChem-05022322143D

 22 23  0     0  0  0  0  0  0999 V2000
   -4.4877   -0.9401    0.0013 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4019    1.1571    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1455   -0.7952    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1395    1.3473   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8486   -1.4753   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -0.5639   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1559    0.8166   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023    0.5943   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6355   -1.0839   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2557    1.6789    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169   -1.6617    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373   -0.2274    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5471    1.1534    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -2.1146    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -2.1094   -0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    2.3594   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785   -2.1624   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183    2.7571    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2467   -1.0876    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2908   -2.2916   -0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2865   -2.2920    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3945    1.8342    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$