
     RDKit          2D

 40 43  0  0  0  0  0  0  0  0999 V2000
   -5.1024    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7659    4.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3356    6.5376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141    8.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    8.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1561    8.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2346   10.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1316    6.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    7.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    5.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    3.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6142    2.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778    3.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5757    3.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2567    2.0771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4397    0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7546    1.9986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8331    3.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6761    0.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2526    1.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9336    0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315    0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2485    1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7464    1.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4274    0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6104   -0.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2914   -2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7894   -2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6063   -1.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9253    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5675    3.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0695    3.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  2  0
 25 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 31 39  1  0
 39 40  2  0
 21  2  1  0
 40 28  1  0
 18 14  1  0
 38 33  1  0
M  END
