VOB
  CCTOOLS-0410261002

 35 35  0  0  0  0  0  0  0  0999 V2000
   -1.2150    0.9710    0.3550 C   0  0  0  0  0
   -2.7540   -1.3080    0.0380 C   0  0  0  0  0
    4.8130    1.7630   -0.7040 C   0  0  0  0  0
    3.7420    0.7610   -1.1390 C   0  0  0  0  0
    4.7050   -0.9120    0.3230 C   0  0  0  0  0
    5.1330   -1.8100   -0.8400 C   0  0  0  0  0
    2.9090    0.5030    1.1200 C   0  0  0  0  0
    1.4390    0.8250    0.8490 C   0  0  0  0  0
   -0.6280   -0.2820    0.4540 C   0  0  0  0  0
   -2.5690    1.0800    0.1040 C   0  0  0  0  0
   -3.3380   -0.0580   -0.0550 C   0  0  0  0  0
   -1.4030   -1.4230    0.3000 C   0  0  0  0  0
    3.4830   -0.1850   -0.0450 N   0  0  0  0  0
   -4.7860    0.0610   -0.3360 N   0  3  0  0  0
    0.7040   -0.3920    0.7010 O   0  0  0  0  0
   -5.3020    1.1620   -0.4190 O   0  0  0  0  0
   -5.4620   -0.9410   -0.4860 O   0  5  0  0  0
   -0.6150    1.8600    0.4790 H   0  0  0  0  0
   -3.3570   -2.1960   -0.0860 H   0  0  0  0  0
    5.0090    2.4610   -1.5180 H   0  0  0  0  0
    4.4630    2.3120    0.1700 H   0  0  0  0  0
    5.7300    1.2290   -0.4550 H   0  0  0  0  0
    2.8230    1.2940   -1.3830 H   0  0  0  0  0
    4.0900    0.2150   -2.0160 H   0  0  0  0  0
    4.5120   -1.5260    1.2030 H   0  0  0  0  0
    5.5000   -0.2000    0.5430 H   0  0  0  0  0
    4.3380   -2.5230   -1.0610 H   0  0  0  0  0
    5.3260   -1.1970   -1.7200 H   0  0  0  0  0
    6.0400   -2.3500   -0.5680 H   0  0  0  0  0
    3.4570    1.4280    1.3020 H   0  0  0  0  0
    2.9850   -0.1420    1.9960 H   0  0  0  0  0
    1.0320    1.3960    1.6840 H   0  0  0  0  0
    1.3580    1.4110   -0.0660 H   0  0  0  0  0
   -3.0280    2.0550    0.0310 H   0  0  0  0  0
   -0.9480   -2.3990    0.3770 H   0  0  0  0  0
  1 10  2  0  0  0
  1 18  1  0  0  0
  2 11  2  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4 13  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5 13  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 15  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 12  2  0  0  0
  9  1  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 14  1  0  0  0
 12  2  1  0  0  0
 12 35  1  0  0  0
 13  7  1  0  0  0
 14 17  1  0  0  0
 14 16  2  0  0  0
 15  9  1  0  0  0
M  CHG  1  14   1
M  CHG  1  17  -1
M  END
$$$$
