
     RDKit          3D

 48 49  0  0  0  0  0  0  0  0999 V2000
    5.4499   -1.8202    2.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320   -0.4322    2.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    0.1124    1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863    1.4923    1.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461    2.0932    1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032    3.4798    1.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557    1.3068    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384   -0.0995    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -0.6786    0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -0.9925   -0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3814   -2.0828    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036   -3.0827   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287   -2.4796   -0.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -2.0694    0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8575   -1.1700   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6591   -1.6002   -1.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0028    0.2454    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7756    1.1157   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5849    1.3515   -1.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    2.2003   -1.8240 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1602    2.3480   -3.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    1.5927   -1.2852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    1.9700   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942    2.8971    0.6171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220   -1.9658    2.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6689   -2.3871    2.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377   -2.1992    1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400    2.1045    2.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2015    4.0650    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1314   -1.7498    0.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590   -0.7814   -1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731   -2.2895    1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0455   -3.4934   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132   -3.9295    0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6129   -1.6144   -1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540   -3.2353   -1.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1781   -1.5536    1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2027   -2.9784    0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1467    0.2107    1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105    0.7172   -0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9060    2.0988    0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8735    0.6371    0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058    0.3811   -2.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4835    1.8745   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4778    3.2229   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734    2.9819   -3.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077    1.3540   -3.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0542    2.8318   -3.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
  9  3  1  0
 23  7  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  6 29  1  0
  9 30  1  0
 10 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 17 39  1  0
 17 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 19 44  1  0
 20 45  1  1
 21 46  1  0
 21 47  1  0
 21 48  1  0
M  END
$$$$
