DQC
  CCTOOLS-0919241045

 21 22  0  0  0  0  0  0  0  0999 V2000
   -4.2890   -1.2420   -0.0050 O   0  0  0  0  0
   -4.1210    1.4720    0.0050 O   0  0  0  0  0
   -3.2050   -0.6940   -0.0040 C   0  0  0  0  0
   -3.1120    0.7940    0.0020 C   0  0  0  0  0
   -2.0720   -1.4260   -0.0030 N   0  0  0  0  0
   -1.8980    1.3810    0.0030 N   0  0  0  0  0
   -0.8320   -0.7920   -0.0010 C   0  0  0  0  0
   -0.7470    0.6040   -0.0010 C   0  0  0  0  0
    0.3270   -1.5540    0.0010 C   0  0  0  0  0
    0.5000    1.2250    0.0000 C   0  0  0  0  0
    1.5720   -0.9270    0.0030 C   0  0  0  0  0
    1.6500    0.4700   -0.0040 C   0  0  0  0  0
    2.7700   -1.7120    0.0050 C   0  0  0  0  0
    2.9720    1.1370   -0.0030 N   0  3  0  0  0
    3.0400    2.3530    0.0020 O   0  0  0  0  0
    3.9900    0.4690   -0.0070 O   0  5  0  0  0
    3.7200   -2.3340    0.0070 N   0  0  0  0  0
   -1.8290    2.3490    0.0070 H   0  0  0  0  0
   -2.1210   -2.3950   -0.0030 H   0  0  0  0  0
    0.2640   -2.6320    0.0010 H   0  0  0  0  0
    0.5640    2.3030    0.0050 H   0  0  0  0  0
  1  3  2  0  0  0
  2  4  2  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  4  6  1  0  0  0
  5  7  1  0  0  0
  5 19  1  0  0  0
  6  8  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 10  1  0  0  0
  9 11  2  0  0  0
  9 20  1  0  0  0
 10 12  2  0  0  0
 10 21  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 14  1  0  0  0
 13 17  3  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END
$$$$