TZW
  CCTOOLS-0410261002

 32 33  0  0  0  0  0  0  0  0999 V2000
   -3.6540    0.5560    0.0140 C   0  0  0  0  0
   -2.9770    0.0160    1.2760 C   0  0  0  0  0
   -1.4800    0.3300    1.2200 C   0  0  0  0  0
    0.4950   -0.1330    0.0110 C   0  0  0  0  0
    1.3200   -1.2530   -0.0010 C   0  0  0  0  0
    2.6950   -1.1060   -0.0140 C   0  0  0  0  0
    3.2590    0.1520   -0.0160 C   0  0  0  0  0
    2.4400    1.2860   -0.0050 C   0  0  0  0  0
    3.0390    2.6300   -0.0070 C   0  0  0  0  0
    1.0500    1.1360    0.0030 C   0  0  0  0  0
   -1.4950    0.2490   -1.2020 C   0  0  0  0  0
   -2.9920   -0.0680   -1.2180 C   0  0  0  0  0
   -0.8930   -0.2890    0.0250 N   0  0  0  0  0
    0.7240   -2.6080    0.0020 N   0  3  0  0  0
   -3.5110    1.9770   -0.0340 O   0  0  0  0  0
   -0.4870   -2.7400    0.0140 O   0  0  0  0  0
    1.4440   -3.5900   -0.0090 O   0  5  0  0  0
   -4.7130    0.2970    0.0290 H   0  0  0  0  0
   -3.4150    0.4890    2.1550 H   0  0  0  0  0
   -3.1210   -1.0620    1.3330 H   0  0  0  0  0
   -1.3370    1.4100    1.1770 H   0  0  0  0  0
   -0.9920   -0.0650    2.1110 H   0  0  0  0  0
    3.3290   -1.9800   -0.0230 H   0  0  0  0  0
    4.3330    0.2620   -0.0260 H   0  0  0  0  0
    4.1130    2.7430   -0.0170 H   0  0  0  0  0
    0.4110    2.0070    0.0110 H   0  0  0  0  0
   -1.0180   -0.2060   -2.0700 H   0  0  0  0  0
   -1.3520    1.3290   -1.2330 H   0  0  0  0  0
   -3.1360   -1.1480   -1.2000 H   0  0  0  0  0
   -3.4420    0.3450   -2.1210 H   0  0  0  0  0
   -3.9170    2.3870   -0.8110 H   0  0  0  0  0
    2.3260    3.6110    0.0030 O   0  0  0  0  0
  1 18  1  0  0  0
  2  1  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3 13  1  0  0  0
  3  2  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5 14  1  0  0  0
  6  5  2  0  0  0
  6 23  1  0  0  0
  7  6  1  0  0  0
  7 24  1  0  0  0
  8  7  2  0  0  0
  8 10  1  0  0  0
  9  8  1  0  0  0
  9 25  1  0  0  0
  9 32  2  0  0  0
 10  4  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12  1  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 11  1  0  0  0
 14 17  1  0  0  0
 15  1  1  0  0  0
 15 31  1  0  0  0
 16 14  2  0  0  0
M  CHG  1  14   1
M  CHG  1  17  -1
M  END
$$$$