IFLAB-ZINC00091376
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 32  0  0  0  0  0  0  0  0999 V2000
    1.1950   -1.3760   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7120   -2.6530   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0770   -2.8460    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340   -1.7650    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200   -0.4730   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390   -0.2860   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290    0.6880   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240    1.6970   -1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3360    2.5870   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300    2.0880    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2980    0.9430    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980    2.6730    1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120    2.6620    2.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2060    3.1060    3.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1850    3.4850    2.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8330    2.2060    3.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010    1.9550    2.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3940   -1.9730    0.1660 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8400   -3.1000    0.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1490   -1.0180    0.1470 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1280   -1.2330   -0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450   -3.5030   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730   -3.8450    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6350    0.7100   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6590    1.7800   -1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    3.4920   -1.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    3.1330    0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2200    3.0950    4.6010 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8920    2.0640    4.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890    1.7600    5.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0300    3.3970    5.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
M  CHG  1  18   1
M  CHG  1  20  -1
M  END