LBKV48
  -OEChem-05022321393D

 31 32  0     0  0  0  0  0  0999 V2000
    0.9489    1.9334    0.3836 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326    2.7101   -0.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845    2.5583    1.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0186    0.7894   -1.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412    1.1002    0.5433 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231   -2.6033   -0.3455 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712    0.5854    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3395    0.1283   -1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6603    0.0102    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3591    0.6232   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -0.0618   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271   -1.5278   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241   -0.9365   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452   -1.0544    1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6731   -0.0549   -1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6911   -0.7264    1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8548   -0.7124   -0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8727   -1.3840    1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9546   -1.3771    0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9114    1.0471    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777    0.5726   -1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477    0.3581    2.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352   -1.2969   -2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0073   -1.5079    1.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6157    0.4605   -2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.7815    1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6975   -0.7067   -1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9485   -1.9076    2.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8740   -1.8905    0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1585   -3.0334    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9264   -2.9488   -1.2739 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  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$