
     RDKit          3D

 56 59  0  0  0  0  0  0  0  0999 V2000
    6.6076    0.4790    0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621    0.3790   -1.4084 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.6832   -1.0362   -1.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2972    1.2723   -2.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0152    0.8865   -1.1628 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    0.0635   -0.1449 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3605    0.7293    1.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819    1.5515    1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    1.0591    0.2664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255    1.7373   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    2.4233    0.8564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688    1.6976   -1.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7902    0.8114   -1.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280    1.1204   -1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7275    2.3432   -1.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745    3.2500   -2.2140 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0577    2.6093   -1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8154    1.6671   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1063    1.9363   -0.1116 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2534    0.4416   -0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176    0.1434   -0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360   -1.1906    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -0.9398    1.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3936   -2.1300    1.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308   -2.5943    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -3.1294   -0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156   -2.0200   -1.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776   -1.5064   -0.4858 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620   -1.3925   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -0.0289   -0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694    1.5147    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6629    0.2075   -0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1947   -0.2246    0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163    1.8990   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904   -0.9505   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458   -0.0582    2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    1.3656    1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3089    2.6264    1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941    1.4233    2.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0462    1.3545   -2.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407    2.7259   -1.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5099    3.5467   -1.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8641   -0.2764    0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1421   -1.8111    0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8660   -0.7009    2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820   -0.0607    0.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783   -2.9621    1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206   -1.8358    2.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0370   -3.4415    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3689   -3.5479   -1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811   -3.9565   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3263   -1.3931   -1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861   -2.4855   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8566   -2.2039   -0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -1.4838    1.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031    0.0959   -1.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30  6  1  0
 30  9  1  0
 21 14  1  0
 27 22  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  5 34  1  0
  6 35  1  1
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
 12 40  1  0
 12 41  1  0
 17 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 23 46  1  0
 24 47  1  0
 24 48  1  0
 25 49  1  0
 26 50  1  0
 26 51  1  0
 27 52  1  0
 27 53  1  0
 29 54  1  0
 29 55  1  0
 30 56  1  0
M  END
$$$$
