Y4Y
  CCTOOLS-0410261002

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.1550    0.8010   -0.1130 C   0  0  0  0  0
    3.2460   -0.6810    0.0250 C   0  0  0  0  0
    0.7900    0.6180   -0.0020 C   0  0  0  0  0
    0.8760   -0.7690    0.1370 C   0  0  0  0  0
   -0.4570    1.2340   -0.0070 C   0  0  0  0  0
   -0.2860   -1.5240    0.2540 C   0  0  0  0  0
   -1.5180   -0.9020    0.2330 C   0  0  0  0  0
    4.1620    1.4710   -0.2220 O   0  0  0  0  0
    4.3290   -1.2310    0.0300 O   0  0  0  0  0
    2.1150   -1.4040    0.1440 N   0  0  0  0  0
    1.9410    1.3900   -0.1210 N   0  0  0  0  0
   -1.6020    0.4760    0.1240 C   0  0  0  0  0
   -2.9280    1.1340    0.1030 N   0  3  0  0  0
   -3.0050    2.3460    0.0080 O   0  0  0  0  0
   -3.9420    0.4640    0.1820 O   0  5  0  0  0
   -2.7750   -1.7240    0.3610 C   0  0  0  0  0
   -3.3630   -1.9290   -0.9700 N   0  0  0  0  0
   -0.5280    2.3060   -0.1140 H   0  0  0  0  0
   -0.2240   -2.5960    0.3610 H   0  0  0  0  0
    2.1640   -2.3690    0.2340 H   0  0  0  0  0
    1.8710    2.3530   -0.2170 H   0  0  0  0  0
   -2.5350   -2.6900    0.8040 H   0  0  0  0  0
   -3.4890   -1.1990    0.9960 H   0  0  0  0  0
   -4.2080   -2.4770   -0.9120 H   0  0  0  0  0
   -3.5350   -1.0470   -1.4290 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  2  0  0  0
  2  9  2  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4 10  1  0  0  0
  5  3  2  0  0  0
  5 18  1  0  0  0
  6  4  2  0  0  0
  6 19  1  0  0  0
  7  6  1  0  0  0
 10  2  1  0  0  0
 10 20  1  0  0  0
 11  1  1  0  0  0
 11 21  1  0  0  0
 12  7  2  0  0  0
 12  5  1  0  0  0
 13 12  1  0  0  0
 14 13  2  0  0  0
 15 13  1  0  0  0
 16  7  1  0  0  0
 16 22  1  0  0  0
 16 23  1  0  0  0
 17 16  1  0  0  0
 17 24  1  0  0  0
 17 25  1  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  END
$$$$
