A1I38
  CCTOOLS-0619261019

 40 44  0  0  0  0  0  0  0  0999 V2000
   -7.2040    2.4970   -0.0090 O   0  0  0  0  0
   -7.5390    0.3010   -0.0070 O   0  0  0  0  0
   -6.7280    1.3780   -0.0060 C   0  0  0  0  0
   -5.2690    1.1990   -0.0010 C   0  0  0  0  0
   -4.4100    2.2410    0.0050 C   0  0  0  0  0
   -2.8070    1.6470    0.0090 S   0  0  0  0  0
   -4.6930   -0.0070    0.0030 N   0  0  0  0  0
   -3.3980   -0.0100    0.0020 C   0  0  0  0  0
    4.1540    2.7400   -0.0020 C   0  0  0  0  0
    5.2660    3.5440   -0.0030 C   0  0  0  0  0
    6.5370    2.9890   -0.0040 C   0  0  0  0  0
    6.6910    1.6200   -0.0040 C   0  0  0  0  0
    3.3190    0.3970    0.0100 N   0  0  0  0  0
    4.2860    1.3360    0.0040 C   0  0  0  0  0
    5.5730    0.7900   -0.0030 C   0  0  0  0  0
    5.4330   -0.9670   -0.0030 S   0  0  0  0  0
    3.6800   -0.8400   -0.0010 C   0  0  0  0  0
    2.8110   -1.9150   -0.0010 N   0  0  0  0  0
    1.0670   -4.1970    0.0010 C   0  0  0  0  0
   -2.5980   -1.1480    0.0020 N   0  0  0  0  0
   -2.0320   -3.2980   -0.0030 C   0  0  0  0  0
   -3.0630   -2.4370   -0.0040 C   0  0  0  0  0
   -1.2190   -1.1470    0.0020 C   0  0  0  0  0
   -0.3010   -0.1940    0.0020 N   0  0  0  0  0
    0.9550   -0.4600    0.0010 N   0  0  0  0  0
    1.4330   -1.6980    0.0010 C   0  0  0  0  0
    0.5590   -2.7780    0.0010 C   0  0  0  0  0
   -0.8090   -2.4970    0.0020 C   0  0  0  0  0
   -8.4920    0.4690   -0.0100 H   0  0  0  0  0
   -4.6910    3.2840    0.0070 H   0  0  0  0  0
    3.1700    3.1870   -0.0010 H   0  0  0  0  0
    5.1510    4.6170   -0.0030 H   0  0  0  0  0
    7.4070    3.6300   -0.0060 H   0  0  0  0  0
    7.6820    1.1900   -0.0050 H   0  0  0  0  0
    3.1600   -2.8200   -0.0010 H   0  0  0  0  0
    1.1900   -4.5390    1.0280 H   0  0  0  0  0
    0.3520   -4.8390   -0.5130 H   0  0  0  0  0
    2.0270   -4.2390   -0.5140 H   0  0  0  0  0
   -2.0940   -4.3760   -0.0070 H   0  0  0  0  0
   -4.1060   -2.7200   -0.0090 H   0  0  0  0  0
  1  3  2  0  0  0
  2 29  1  0  0  0
  3  2  1  0  0  0
  3  4  1  0  0  0
  4  7  1  0  0  0
  5  4  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  8  1  0  0  0
  7  8  2  0  0  0
  8 20  1  0  0  0
  9 31  1  0  0  0
 10  9  2  0  0  0
 10 32  1  0  0  0
 11 10  1  0  0  0
 11 33  1  0  0  0
 12 11  2  0  0  0
 12 15  1  0  0  0
 12 34  1  0  0  0
 14 13  1  0  0  0
 14  9  1  0  0  0
 15 14  2  0  0  0
 16 15  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 13  2  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 22  1  0  0  0
 20 23  1  0  0  0
 21 39  1  0  0  0
 22 21  2  0  0  0
 22 40  1  0  0  0
 23 28  2  0  0  0
 24 23  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 18  1  0  0  0
 27 19  1  0  0  0
 28 21  1  0  0  0
 28 27  1  0  0  0
M  END
$$$$
