0ZA
  CCTOOLS-0919241031

 49 52  0  0  1  0  0  0  0  0999 V2000
   -5.9870   -0.2380   -1.3000 CL  0  0  0  0  0
   -4.3200   -0.1060   -0.8340 C   0  0  0  0  0
   -3.3620   -0.8690   -1.4790 C   0  0  0  0  0
   -2.0340   -0.7700   -1.1150 C   0  0  0  0  0
   -1.6640    0.1010   -0.0960 C   0  0  0  0  0
   -2.6350    0.8680    0.5530 C   0  0  0  0  0
   -3.9550    0.7670    0.1800 C   0  0  0  0  0
   -0.2520    0.2400    0.3240 C   0  0  0  0  0
    0.0250    0.7620    1.4830 N   0  0  0  0  0
   -1.0200    1.1960    2.4050 C   0  0  0  0  0
   -0.4440    2.2430    3.3600 C   0  0  0  0  0
   -1.5050   -0.0080    3.2150 C   0  0  0  0  0
   -2.2040    1.8020    1.6530 C   0  0  0  0  0
    0.7630   -0.1810   -0.5070 N   0  0  0  0  0
    2.1600   -0.0400   -0.0860 C   0  0  0  0  0
    2.6510    1.3430   -0.4260 C   0  0  0  0  0
    2.3080    2.0520   -1.4820 N   0  0  0  0  0
    2.9800    3.2110   -1.3790 C   0  0  0  0  0
    2.9390    4.1460   -2.1600 O   0  0  0  0  0
    3.7040    3.1420   -0.2520 O   0  0  0  0  0
    3.5080    2.0750    0.2920 N   0  0  0  0  0
    3.0180   -1.0790   -0.8120 C   0  0  0  0  0
    2.6080   -2.4620   -0.3780 C   0  0  0  0  0
    1.6180   -3.1380   -1.0670 C   0  0  0  0  0
    1.2410   -4.4070   -0.6680 C   0  0  0  0  0
    1.8550   -5.0000    0.4190 C   0  0  0  0  0
    2.8440   -4.3240    1.1090 C   0  0  0  0  0
    3.2250   -3.0570    0.7060 C   0  0  0  0  0
   -3.6550   -1.5440   -2.2700 H   0  0  0  0  0
   -1.2860   -1.3660   -1.6190 H   0  0  0  0  0
   -4.7060    1.3620    0.6780 H   0  0  0  0  0
   -0.0830    3.0980    2.7870 H   0  0  0  0  0
   -1.2200    2.5710    4.0510 H   0  0  0  0  0
    0.3820    1.8080    3.9210 H   0  0  0  0  0
   -0.6700   -0.4270    3.7780 H   0  0  0  0  0
   -2.2860    0.3090    3.9060 H   0  0  0  0  0
   -1.9030   -0.7650    2.5390 H   0  0  0  0  0
   -1.9090    2.7590    1.2230 H   0  0  0  0  0
   -3.0330    1.9560    2.3450 H   0  0  0  0  0
    0.5540   -0.5700   -1.3700 H   0  0  0  0  0
    2.2330   -0.1980    0.9900 H   0  0  0  0  0
    3.9190    1.7920    1.1240 H   0  0  0  0  0
    2.8760   -0.9790   -1.8880 H   0  0  0  0  0
    4.0680   -0.9170   -0.5670 H   0  0  0  0  0
    1.1380   -2.6740   -1.9160 H   0  0  0  0  0
    0.4680   -4.9350   -1.2060 H   0  0  0  0  0
    1.5600   -5.9910    0.7310 H   0  0  0  0  0
    3.3230   -4.7870    1.9590 H   0  0  0  0  0
    4.0010   -2.5310    1.2420 H   0  0  0  0  0
  1  2  1  0  0  0
  2  7  1  0  0  0
  3  2  2  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6 13  1  0  0  0
  7  6  2  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 10  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14  8  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 22  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 15  1  0  0  0
 18 19  2  0  0  0
 18 17  1  0  0  0
 20 21  1  0  0  0
 20 18  1  0  0  0
 21 16  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
 26 25  1  0  0  0
 26 47  1  0  0  0
 27 26  2  0  0  0
 27 48  1  0  0  0
 28 23  2  0  0  0
 28 27  1  0  0  0
 28 49  1  0  0  0
M  END
$$$$
