TNG
  CCTOOLS-0919241035

 20 19  0  0  0  0  0  0  0  0999 V2000
   -3.9670   -1.6530    0.3920 O   0  5  0  0  0
   -3.8840   -0.5350   -0.0830 N   0  3  0  0  0
   -4.8940    0.0840   -0.3660 O   0  0  0  0  0
   -2.6120    0.0490   -0.3010 O   0  0  0  0  0
   -1.5170   -0.7860    0.0820 C   0  0  0  0  0
   -0.2000   -0.0580   -0.1970 C   0  0  0  0  0
   -0.1070    1.0950    0.6410 O   0  0  0  0  0
    0.7270    2.1170    0.1250 N   0  3  0  0  0
    1.2870    1.9620   -0.9460 O   0  5  0  0  0
    0.8850    3.1490    0.7510 O   0  0  0  0  0
    0.9730   -0.9970    0.0950 C   0  0  0  0  0
    2.1970   -0.3590   -0.2750 O   0  0  0  0  0
    3.3500   -1.1470   -0.0440 N   0  3  0  0  0
    3.2400   -2.2630    0.4310 O   0  5  0  0  0
    4.4530   -0.7090   -0.3200 O   0  0  0  0  0
   -1.5880   -1.0140    1.1450 H   0  0  0  0  0
   -1.5480   -1.7120   -0.4920 H   0  0  0  0  0
   -0.1680    0.2490   -1.2420 H   0  0  0  0  0
    0.9930   -1.2330    1.1590 H   0  0  0  0  0
    0.8540   -1.9160   -0.4790 H   0  0  0  0  0
  2  1  1  0  0  0
  2  4  1  0  0  0
  3  2  2  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 18  1  0  0  0
  8  7  1  0  0  0
  9  8  1  0  0  0
 10  8  2  0  0  0
 11 19  1  0  0  0
 11 20  1  0  0  0
 12 11  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 15 13  2  0  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  CHG  1   8   1
M  CHG  1   9  -1
M  CHG  1  13   1
M  CHG  1  14  -1
M  END
$$$$