BAC85V
  -OEChem-04022117523D

 20 20  0     0  0  0  0  0  0999 V2000
    4.9797   -0.5917   -0.0022 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632    0.9595    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040   -0.0153    0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193   -0.6137    0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3308    1.4926   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887   -0.3811    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3269   -1.2986   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6282   -0.8086   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0908   -0.8368    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8482    0.5644   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7418    1.3984    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1471   -2.3684   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4693   -1.4953   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2516   -1.9310    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8539    0.9687   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595    2.4771    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502   -1.6284    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    1.9294    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1372    2.1081   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$