NCID-ZINC04429444
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
    0.1410    1.4270    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300    0.1210    0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -0.6820   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790   -1.8980   -0.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.0320   -0.4450 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660   -0.4800   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    1.3850   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    1.9600   -0.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120    2.0440    0.3100 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200    3.0400    0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2420   -0.5090    0.8680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -0.0060   -0.0160 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620   -1.0850    0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9630    1.2890    0.5630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560    0.0270   -1.3960 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6200    2.0600    1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230   -1.5110    0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  1  15  -1
M  END