PJE
  CCTOOLS-1004241121

 28 28  0  0  1  0  0  0  0  0999 V2000
    0.1550   -1.1280   -0.2780 C   0  0  0  0  0
    1.2470   -0.0940   -0.1880 C   0  0  0  0  0
    2.5130   -0.4750   -0.0340 C   0  0  0  0  0
    3.5780    0.5340    0.0530 C   0  0  0  0  0
    4.8600    0.1480    0.2080 O   0  0  0  0  0
   -0.9090   -0.8410    0.7840 C   0  0  0  0  0
   -1.5930    0.4910    0.4730 C   0  0  0  0  0
   -2.6720    0.8070    1.5350 C   0  0  0  0  0
   -3.9440    0.2350    0.8720 C   0  0  0  0  0
   -3.6790    0.2620   -0.5710 N   0  0  0  0  0
   -2.3660    0.3990   -0.8240 C   0  0  0  0  0
   -1.8730    0.4430   -1.9310 O   0  0  0  0  0
    0.7250   -2.4630   -0.0510 N   0  0  0  0  0
    3.3030    1.7160   -0.0140 O   0  0  0  0  0
   -0.3010   -1.0910   -1.2670 H   0  0  0  0  0
    1.0020    0.9560   -0.2470 H   0  0  0  0  0
    2.7580   -1.5250    0.0250 H   0  0  0  0  0
    5.5260    0.8480    0.2610 H   0  0  0  0  0
   -1.6500   -1.6400    0.7810 H   0  0  0  0  0
   -0.4370   -0.7870    1.7650 H   0  0  0  0  0
   -0.8580    1.2940    0.4230 H   0  0  0  0  0
   -2.4570    0.2950    2.4730 H   0  0  0  0  0
   -2.7620    1.8820    1.6920 H   0  0  0  0  0
   -4.1150   -0.7890    1.2050 H   0  0  0  0  0
   -4.8060    0.8590    1.1090 H   0  0  0  0  0
   -4.3630    0.1890   -1.2550 H   0  0  0  0  0
    1.2140   -2.5030    0.8300 H   0  0  0  0  0
    0.0110   -3.1740   -0.1010 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 15  1  0  0  0
  2 16  1  0  0  0
  3  2  2  0  0  0
  3 17  1  0  0  0
  4  3  1  0  0  0
  5  4  1  0  0  0
  5 18  1  0  0  0
  6  1  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7 11  1  0  0  0
  7  6  1  0  0  0
  7 21  1  0  0  0
  8  7  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9  8  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 14  4  2  0  0  0
M  END
$$$$