3AG
  CCTOOLS-0919241042

 37 36  0  0  1  0  0  0  0  0999 V2000
    3.6790    2.7440   -0.8210 C   0  0  0  0  0
    4.6260    2.1010    0.1600 C   0  0  0  0  0
    5.4260    2.9590    1.1070 C   0  0  0  0  0
    4.7530    0.7980    0.1900 C   0  0  0  0  0
   -2.6090   -1.6110    1.2420 O   0  0  0  0  0
    3.8580   -0.0660   -0.6610 C   0  0  0  0  0
    3.1680   -1.1090    0.2210 C   0  0  0  0  0
    2.2960   -1.9510   -0.6080 N   0  0  0  0  0
    1.4870   -2.7590    0.3150 C   0  0  0  0  0
    0.3000   -1.9310    0.8110 C   0  0  0  0  0
    3.1710   -2.8840   -1.3290 C   0  0  0  0  0
   -0.5410   -1.5940   -0.2940 O   0  0  0  0  0
   -1.7630   -0.7290    0.2980 P   0  0  0  0  0
   -2.6840   -0.2020   -0.9130 O   0  0  0  0  0
   -1.2050    0.4790    1.0830 O   0  5  0  0  0
   -3.5300    1.0450   -0.3470 P   0  0  0  0  0
   -2.6310    2.3280   -0.3470 O   0  0  0  0  0
   -4.7810    1.2840   -1.2580 O   0  5  0  0  0
   -3.9990    0.7360    1.1160 O   0  5  0  0  0
    2.6740    2.7590   -0.3990 H   0  0  0  0  0
    4.0030    3.7650   -1.0230 H   0  0  0  0  0
    3.6750    2.1730   -1.7490 H   0  0  0  0  0
    6.0490    2.3220    1.7350 H   0  0  0  0  0
    6.0600    3.6370    0.5350 H   0  0  0  0  0
    4.7480    3.5370    1.7350 H   0  0  0  0  0
    5.4990    0.3430    0.8250 H   0  0  0  0  0
    4.4560   -0.5710   -1.4200 H   0  0  0  0  0
    3.1060    0.5560   -1.1450 H   0  0  0  0  0
    2.5700   -0.6040    0.9810 H   0  0  0  0  0
    3.9200   -1.7310    0.7050 H   0  0  0  0  0
    1.1210   -3.6450   -0.2030 H   0  0  0  0  0
    2.0990   -3.0610    1.1640 H   0  0  0  0  0
   -0.2690   -2.5110    1.5370 H   0  0  0  0  0
    0.6650   -1.0180    1.2820 H   0  0  0  0  0
    3.7330   -2.3410   -2.0890 H   0  0  0  0  0
    3.8640   -3.3480   -0.6280 H   0  0  0  0  0
    2.5660   -3.6550   -1.8070 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  6  1  0  0  0
  4 26  1  0  0  0
  5 13  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 12  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 16 19  1  0  0  0
M  CHG  1  15  -1
M  CHG  1  18  -1
M  CHG  1  19  -1
M  END
$$$$