DYI
  CCTOOLS-0814260951

 41 44  0  0  1  0  0  0  0  0999 V2000
    4.9850   -1.3780   -0.6030 N   0  0  0  0  0
    5.5140   -2.1090    0.3820 C   0  0  0  0  0
    6.8330   -2.1130    0.5490 N   0  0  0  0  0
    4.7590   -2.8670    1.2330 N   0  0  0  0  0
    3.3720   -2.9270    1.1480 C   0  0  0  0  0
    2.7450   -3.6290    1.9350 O   0  0  0  0  0
    1.4220   -2.1090   -0.1210 N   0  0  0  0  0
    0.8120   -1.4880   -1.2980 C   0  0  0  0  0
    1.7020   -0.3570   -1.9010 C   0  0  0  0  0
    3.1280   -0.6230   -1.7560 N   0  0  0  0  0
    2.7930   -2.1470    0.0820 C   0  0  0  0  0
    3.6370   -1.3770   -0.7430 C   0  0  0  0  0
   -0.6060   -1.0060   -0.9780 C   0  0  0  0  0
   -1.7500   -2.1910   -0.6710 S   0  5  0  0  0
   -0.9520    0.3020   -0.9770 C   0  0  0  0  0
   -2.5800    0.6920   -0.8180 S   0  5  0  0  0
    0.0860    1.4030   -1.1300 C   0  0  0  0  0
    1.4330    0.9070   -1.2690 O   0  0  0  0  0
    0.1640    2.3620    0.0580 C   0  0  0  0  0
    0.9960    3.4880   -0.2740 O   0  0  0  0  0
    1.0490    4.7780    0.6230 P   0  0  0  0  0
    1.4620    4.4790    2.0240 O   0  0  0  0  0
   -0.3450    5.4340    0.5470 O   0  0  0  0  0
    2.0250    5.7450   -0.0790 O   0  0  0  0  0
   -3.6240   -1.1320    0.0330 MO  0  0  0  0  0
   -4.3060   -2.5220    0.6330 O   0  5  0  0  0
   -4.9580   -0.2690    0.5160 O   0  6  0  0  0
   -2.9110   -0.8500    1.5050 O   0  6  0  0  0
    7.3470   -1.6410    0.0160 H   0  0  0  0  0
    7.2010   -2.5860    1.1920 H   0  0  0  0  0
    5.1610   -3.3330    1.8620 H   0  0  0  0  0
    0.9130   -2.4770    0.4820 H   0  0  0  0  0
    0.7350   -2.1840   -2.0000 H   0  0  0  0  0
    1.5070   -0.2780   -2.8680 H   0  0  0  0  0
    3.6900   -0.2850   -2.3490 H   0  0  0  0  0
   -0.1530    1.9270   -1.9400 H   0  0  0  0  0
    0.5350    1.8860    0.8330 H   0  0  0  0  0
   -0.7370    2.6700    0.2910 H   0  0  0  0  0
   -0.5270    5.6440   -0.2940 H   0  0  0  0  0
    2.0890    6.4930    0.3930 H   0  0  0  0  0
   -5.0200   -2.7130    0.1820 H   0  0  0  0  0
  1 12  1  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 33  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 13 15  2  0  0  0
 13 14  1  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 24  1  0  0  0
 21 23  1  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
 25 27  2  0  0  0
 25 28  2  0  0  0
 25 26  1  0  0  0
 26 41  1  0  0  0
 31  4  1  0  0  0
M  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  26  -1
M  CHG  1  27  -2
M  CHG  1  28  -2
M  END
$$$$
