TQ0
  CCTOOLS-0410261002

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.8060    1.6700    0.1710 C   0  0  0  0  0
   -1.6820    1.5940    0.0930 C   0  0  0  0  0
   -2.8640    0.8820    0.0540 C   0  0  0  0  0
   -0.4410   -0.4840    0.1250 C   0  0  0  0  0
   -1.6250   -1.1880    0.0960 C   0  0  0  0  0
    3.7890   -0.2920   -0.9940 C   0  0  0  0  0
    2.5830    0.3790   -1.0040 C   0  0  0  0  0
   -4.0050    2.9680    0.0140 C   0  0  0  0  0
    1.7930    0.4930   -2.2820 C   0  0  0  0  0
    5.8320   -1.1310    0.1820 C   0  0  0  0  0
    0.7870    2.8850    0.1980 O   0  0  0  0  0
   -0.4600    0.9140    0.1290 C   0  0  0  0  0
   -1.6040   -2.6680    0.1090 N   0  3  0  0  0
   -2.8380   -0.5130    0.0560 C   0  0  0  0  0
    2.0960    0.9500    0.1740 C   0  0  0  0  0
    2.8350    0.8390    1.3540 C   0  0  0  0  0
    4.0390    0.1670    1.3490 C   0  0  0  0  0
    4.5160   -0.3980    0.1790 C   0  0  0  0  0
   -4.0530    1.5400    0.0140 O   0  0  0  0  0
   -2.6500   -3.2920    0.0840 O   0  0  0  0  0
   -0.5410   -3.2620    0.1450 O   0  5  0  0  0
   -4.0010   -1.2120    0.0180 O   0  0  0  0  0
   -1.7010    2.6740    0.0910 H   0  0  0  0  0
    0.5010   -1.0110    0.1570 H   0  0  0  0  0
    4.1650   -0.7390   -1.9020 H   0  0  0  0  0
   -3.5090    3.3140    0.9210 H   0  0  0  0  0
   -3.4500    3.3130   -0.8580 H   0  0  0  0  0
   -5.0190    3.3660   -0.0200 H   0  0  0  0  0
    1.0370   -0.2920   -2.3130 H   0  0  0  0  0
    1.3070    1.4670   -2.3220 H   0  0  0  0  0
    2.4640    0.3850   -3.1340 H   0  0  0  0  0
    6.6380   -0.4320   -0.0410 H   0  0  0  0  0
    5.9980   -1.5760    1.1630 H   0  0  0  0  0
    5.8120   -1.9160   -0.5740 H   0  0  0  0  0
    2.4650    1.2800    2.2680 H   0  0  0  0  0
    4.6110    0.0800    2.2610 H   0  0  0  0  0
   -4.3090   -1.4150   -0.8770 H   0  0  0  0  0
  1 12  1  0  0  0
  2  3  2  0  0  0
  2 23  1  0  0  0
  3 14  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5 13  1  0  0  0
  5 14  2  0  0  0
  6 18  2  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7 15  2  0  0  0
  8 19  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9  7  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 18  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11  1  2  0  0  0
 12  4  2  0  0  0
 12  2  1  0  0  0
 13 21  1  0  0  0
 14 22  1  0  0  0
 15  1  1  0  0  0
 16 15  1  0  0  0
 16 35  1  0  0  0
 17 16  2  0  0  0
 17 36  1  0  0  0
 18 17  1  0  0  0
 20 13  2  0  0  0
 22 37  1  0  0  0
M  CHG  1  13   1
M  CHG  1  21  -1
M  END
$$$$
