L1G4TH
  -OEChem-05022321473D

 41 42  0     1  0  0  0  0  0999 V2000
    3.4863    2.8079    0.2439 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273   -1.6480   -0.5994 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.0304   -2.5047   -0.2699 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6176   -2.2474    1.0052 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804    1.2467    0.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931   -0.2145   -0.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933   -1.5115   -0.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5124    3.5319    1.4687 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033   -1.6545   -2.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5508   -2.8332   -0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1257   -1.7804    0.5957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -3.7854    0.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567   -2.8262   -1.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4028   -2.2906   -0.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2238   -0.9380    1.7336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6781   -3.5111    1.8118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    2.2083   -0.0392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7699    2.4765   -0.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0529    1.3908   -1.7059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9216    2.4760    0.5216 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8612    1.4809    1.3087 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8730    3.0527   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    0.1926    1.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614    1.3640   -1.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5559    2.7790    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6191    1.0598   -1.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362    1.6786   -1.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263    3.1578    1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323    1.7990    2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6719    4.1089   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8888    2.5191   -1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430   -0.5895    1.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    0.3170    1.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4560    0.9189   -1.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    0.3902   -2.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -1.8684   -2.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9095    1.7903   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1371    0.7747   -2.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620   -4.4420    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242   -2.6265   -0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1048   -0.9972    2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  2  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 23  1  0  0  0  0
  8 25  2  0  0  0  0
  9 36  1  0  0  0  0
 12 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 17 20  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 25  1  0  0  0  0
 18 27  2  0  0  0  0
 19 27  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 28  1  0  0  0  0
 21 23  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 26  2  0  0  0  0
 24 34  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  1  0  0  0  0
M  END

$$$$