
     RDKit          2D

 56 59  0  0  0  0  0  0  0  0999 V2000
    3.8409    5.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5043    6.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    7.5370    0.0000 C   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 N   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
    2.7345    1.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    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
   -1.0323    0.7500    0.0000 N   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
   -3.1805   -0.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6142    2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778    3.4921    0.0000 N   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
   -5.1024    5.6404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3604    4.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2819    3.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9454    2.6445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5399    2.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4614    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1249    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8669    1.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0464   -1.1684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7099   -1.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519   -1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1154   -1.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369   -3.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6314   -3.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7971   -4.2913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2595   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7616   -5.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3734   -4.1643    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7194    0.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6409   -1.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0559    0.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1344    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4709    3.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7289    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6504    0.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3139    0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6969    5.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3779    4.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0159    6.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0334    6.1854    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
   -3.5791    7.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3211    8.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8372    6.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961    8.5901    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
    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  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  6  1  6
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 20 19  1  6
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  2  0
 28 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 24 37  1  0
 37 38  1  1
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 20 45  1  0
 45 46  1  0
 45 47  1  0
 45 48  1  0
 18 49  1  0
 49 50  1  6
 50 51  1  0
 50 52  1  0
 50 53  1  0
 49 54  1  0
 54 55  1  0
 55 56  2  0
 55  4  1  0
 13  8  1  0
 36 32  1  0
 44 39  1  0
M  END
