LJRC34
  -OEChem-05032301363D

 27 27  0     1  0  0  0  0  0999 V2000
   -2.3003    0.4950    0.0591 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010   -0.3691   -0.2964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    1.8568   -0.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8392   -0.3058   -0.3204 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.7084    1.3962    0.4565 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4035    0.5392   -0.3806 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5276   -0.0809    0.4711 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8458   -1.5232    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6774   -1.6769    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914   -2.3194   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601    0.7325   -1.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7477    0.7457    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1558    0.5099    1.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958    1.5323    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -0.1092    1.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668   -2.0223    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -1.5529   -0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351   -2.2903   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6311   -1.6552    1.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5185   -2.3955   -1.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852   -3.3453    0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.2152   -2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188    1.4001   -1.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808    1.1789   -2.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9637    1.1366    2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.4984    2.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1990    0.9465    2.1162 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  4  1  0  0  0  0
  1 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5 12  3  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$