PQ1
  CCTOOLS-0919241033

 44 46  0  0  1  0  0  0  0  0999 V2000
    6.1450    3.5230   -0.2510 P   0  0  0  0  0
    6.4560    2.5380   -1.4950 O   0  0  0  0  0
    6.8430    2.7730    1.0000 O   0  0  0  0  0
    4.5660    3.3010    0.0290 O   0  0  0  0  0
    4.0920    1.9800    0.2230 C   0  0  0  0  0
    2.5950    2.0310    0.4650 C   0  0  0  0  0
    1.9330    2.5740   -0.6890 O   0  0  0  0  0
    0.6220    1.9760   -0.7840 C   0  0  0  0  0
    0.4240    1.4500   -2.1360 N   0  0  0  0  0
   -0.7600    1.4130   -2.8260 C   0  0  0  0  0
   -1.9310    1.8760   -2.3250 N   0  0  0  0  0
   -2.9440    1.7450   -3.1500 C   0  0  0  0  0
   -4.2100    2.1560   -2.8190 N   0  0  0  0  0
   -2.8100    1.1740   -4.4330 N   0  0  0  0  0
   -1.6150    0.6880   -4.9780 C   0  0  0  0  0
   -1.5070    0.1940   -6.0940 O   0  0  0  0  0
   -0.5160    0.8410   -4.0570 C   0  0  0  0  0
    0.8560    0.5180   -4.1230 C   0  0  0  0  0
    1.4150    0.9050   -2.9220 C   0  0  0  0  0
    1.5710   -0.1100   -5.2500 C   0  0  0  0  0
    2.1030    0.8540   -6.1890 N   0  0  0  0  0
    0.5180    0.9130    0.3100 C   0  0  0  0  0
   -0.2100    1.4450    1.4150 O   0  0  0  0  0
    1.9690    0.6630    0.6770 C   0  0  0  0  0
    2.1430    0.1970    1.9980 O   0  0  0  0  0
    6.5600    4.9520   -0.4440 O   0  0  0  0  0
    7.3510    2.5480   -1.8960 H   0  0  0  0  0
    7.8140    2.8420    1.1130 H   0  0  0  0  0
    4.3080    1.3880   -0.6680 H   0  0  0  0  0
    4.5970    1.5410    1.0850 H   0  0  0  0  0
    2.3990    2.6930    1.3170 H   0  0  0  0  0
   -0.1250    2.7690   -0.6730 H   0  0  0  0  0
   -4.9510    1.4980   -2.8880 H   0  0  0  0  0
   -4.3370    3.0960   -2.5240 H   0  0  0  0  0
   -3.6450    1.1110   -5.0080 H   0  0  0  0  0
    2.4320    0.8400   -2.5580 H   0  0  0  0  0
    2.4240   -0.7230   -4.9060 H   0  0  0  0  0
    0.9230   -0.7910   -5.8300 H   0  0  0  0  0
    2.9250    0.6150   -6.7120 H   0  0  0  0  0
    1.7700    1.8000   -6.1490 H   0  0  0  0  0
   -0.0000    0.0010   -0.0030 H   0  0  0  0  0
   -1.0620    1.7680    1.0710 H   0  0  0  0  0
    2.4030   -0.0650   -0.0190 H   0  0  0  0  0
    3.0030    0.5310    2.2940 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 26  2  0  0  0
  2 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 10 17  2  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
M  END
$$$$
