
     RDKit          3D

 60 63  0  0  0  0  0  0  0  0999 V2000
    4.4576   -1.6403    0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0726   -0.5384    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0522    0.5582   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    1.6479   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2618    2.6158   -0.7821 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9947    1.6166    0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196    0.5441    0.6187 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7012   -0.3859   -0.3782 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242   -1.5343   -1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -2.5546    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047   -3.0254   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220   -2.0222    0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3677   -2.1336   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8425   -3.6127   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7455   -4.1886    1.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010   -1.5494   -1.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544   -0.1593   -1.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7046    0.6788   -0.6366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118    0.1693    0.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418   -1.3321    0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0601    1.9638   -0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254    2.4377   -1.9854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    2.7299    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417    3.1828    1.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400    3.9549    2.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918    4.3106    2.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    3.9025    1.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274    3.1114    0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7656    2.7649   -0.6986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1190    1.4236   -1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134    0.7646    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    1.8343   -1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9595    1.7881    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7233   -2.0356   -1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -1.1847   -1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2197   -3.4394    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273   -2.1355    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0395   -4.0041    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463   -3.1959   -1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -0.9913    0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507   -2.1598    1.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9006   -3.6617   -0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -4.2038   -0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -5.1251    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9512   -2.2282   -2.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737   -1.4736   -2.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    0.3040   -2.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1596   -0.2724   -1.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8821    0.7177    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1424    0.3290    1.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3143   -1.7174    1.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3863   -1.4606    0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4012    2.9657    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5017    4.2925    3.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    4.9163    3.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    4.1981    1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418    1.4543   -1.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    0.8292   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.5269    0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    0.4321    0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
  7  3  1  0
 31  8  1  0
 20 13  1  0
 28 23  1  0
  4 32  1  0
  6 33  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 12 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 17 47  1  0
 17 48  1  0
 19 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 24 53  1  0
 25 54  1  0
 26 55  1  0
 27 56  1  0
 30 57  1  0
 30 58  1  0
 31 59  1  0
 31 60  1  0
M  END
$$$$
