A1L2E
  CCTOOLS-0410261002

 35 37  0  0  1  0  0  0  0  0999 V2000
    5.0580    0.6380   -0.4950 C   0  0  0  0  0
    2.8560    1.2450   -0.4290 C   0  0  0  0  0
    0.6190    1.0390    0.6220 C   0  0  0  0  0
   -1.6150    1.7700    0.1680 C   0  0  0  0  0
   -5.2270   -1.4920   -0.3480 C   0  0  0  0  0
   -6.1330   -0.4710   -0.5680 C   0  0  0  0  0
   -5.7140    0.8480   -0.5550 C   0  0  0  0  0
   -4.3870    1.1500   -0.3210 C   0  0  0  0  0
   -3.4700    0.1250   -0.0980 C   0  0  0  0  0
    0.1990   -0.2790    0.6130 C   0  0  0  0  0
   -2.0430    0.4440    0.1540 C   0  0  0  0  0
    1.0930   -2.4070    0.2250 O   0  0  0  0  0
   -3.9000   -1.2010   -0.1070 C   0  0  0  0  0
   -1.1270   -0.5810    0.3810 C   0  0  0  0  0
   -0.2870    2.0610    0.4030 C   0  0  0  0  0
    2.0690    1.3630    0.8770 C   0  0  0  0  0
    4.2860    1.6850   -0.2170 C   0  0  0  0  0
    4.2210   -0.4990   -0.8870 C   0  0  0  0  0
    1.1730   -1.3670    0.8540 N   0  3  0  0  0
    2.0560   -1.2220    1.6810 O   0  5  0  0  0
    2.9220   -0.1480   -0.8450 O   0  0  0  0  0
    4.6370   -1.5960   -1.2040 O   0  0  0  0  0
    6.1370    0.6280   -0.4430 H   0  0  0  0  0
    2.3880    1.8500   -1.2060 H   0  0  0  0  0
   -2.3220    2.5680   -0.0030 H   0  0  0  0  0
   -5.5600   -2.5200   -0.3590 H   0  0  0  0  0
   -7.1720   -0.7030   -0.7520 H   0  0  0  0  0
   -6.4250    1.6410   -0.7290 H   0  0  0  0  0
   -4.0610    2.1790   -0.3120 H   0  0  0  0  0
   -3.1930   -1.9990    0.0650 H   0  0  0  0  0
   -1.4540   -1.6100    0.3740 H   0  0  0  0  0
    0.0460    3.0880    0.4140 H   0  0  0  0  0
    2.4740    0.6650    1.6100 H   0  0  0  0  0
    2.1520    2.3800    1.2610 H   0  0  0  0  0
    4.6170    2.6620    0.0990 H   0  0  0  0  0
  1 18  1  0  0  0
  1 23  1  0  0  0
  2 17  1  0  0  0
  2 21  1  0  0  0
  2 24  1  0  0  0
  3 16  1  0  0  0
  4 15  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 11  1  0  0  0
 10 14  2  0  0  0
 10  3  1  0  0  0
 10 19  1  0  0  0
 11  4  2  0  0  0
 13  5  2  0  0  0
 13  9  1  0  0  0
 13 30  1  0  0  0
 14 11  1  0  0  0
 14 31  1  0  0  0
 15  3  2  0  0  0
 15 32  1  0  0  0
 16  2  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17  1  2  0  0  0
 17 35  1  0  0  0
 18 21  1  0  0  0
 18 22  2  0  0  0
 19 12  2  0  0  0
 19 20  1  0  0  0
M  CHG  1  19   1
M  CHG  1  20  -1
M  END
$$$$
