A5S
  CCTOOLS-0828261229

 55 54  0  0  1  0  0  0  0  0999 V2000
   -8.2700    0.4420   -0.1770 C   0  0  0  0  0
   -9.7270    0.3510   -0.5520 C   0  0  0  0  0
  -10.4860    1.4730    0.1080 C   0  0  0  0  0
  -11.9720    1.6070   -0.1070 C   0  0  0  0  0
   -9.9040    2.2650    0.8100 O   0  0  0  0  0
   -7.8860    1.3310    0.5540 O   0  0  0  0  0
   -2.0420   -2.1460   -0.7320 O   0  0  0  0  0
   -2.0670   -1.1610   -0.0240 C   0  0  0  0  0
   -3.2310   -0.5180    0.1940 N   0  0  0  0  0
   -4.4660   -1.0090   -0.4220 C   0  0  0  0  0
   -5.6330   -0.1070   -0.0160 C   0  0  0  0  0
   -7.1580   -0.7130   -0.7780 S   0  0  0  0  0
   -0.7970   -0.6560    0.6100 C   0  0  0  0  0
    0.3700   -1.5590    0.2040 C   0  0  0  0  0
    1.6050   -1.0680    0.8200 N   0  0  0  0  0
    2.7690   -1.7110    0.6010 C   0  0  0  0  0
    2.7810   -2.7470   -0.0290 O   0  0  0  0  0
    4.0570   -1.1420    1.1400 C   0  0  0  0  0
    3.7640   -0.0910    2.0620 O   0  0  0  0  0
    4.8930   -0.5890   -0.0160 C   0  0  0  0  0
    5.3310   -1.7400   -0.9240 C   0  0  0  0  0
    4.0540    0.4050   -0.8220 C   0  0  0  0  0
    6.1280    0.1190    0.5410 C   0  0  0  0  0
    6.9090    0.6360   -0.5380 O   0  0  0  0  0
    8.2840    1.4440   -0.3180 P   0  0  0  0  0
    8.8210    1.9860   -1.7360 O   0  0  0  0  0
    8.0440    2.5890    0.5890 O   0  0  0  0  0
    9.3840    0.4650    0.3340 O   0  0  0  0  0
   -9.8300    0.4300   -1.6340 H   0  0  0  0  0
  -10.1290   -0.6050   -0.2180 H   0  0  0  0  0
  -12.5020    1.0420    0.6580 H   0  0  0  0  0
  -12.2540    2.6580   -0.0450 H   0  0  0  0  0
  -12.2320    1.2190   -1.0920 H   0  0  0  0  0
   -3.2510    0.2690    0.7600 H   0  0  0  0  0
   -4.3590   -0.9990   -1.5070 H   0  0  0  0  0
   -4.6600   -2.0280   -0.0860 H   0  0  0  0  0
   -5.7390   -0.1170    1.0690 H   0  0  0  0  0
   -5.4380    0.9120   -0.3520 H   0  0  0  0  0
   -0.6020    0.3620    0.2740 H   0  0  0  0  0
   -0.9030   -0.6670    1.6950 H   0  0  0  0  0
    0.1760   -2.5780    0.5400 H   0  0  0  0  0
    0.4770   -1.5490   -0.8810 H   0  0  0  0  0
    1.5850   -0.2810    1.3860 H   0  0  0  0  0
    4.6160   -1.9270    1.6490 H   0  0  0  0  0
    3.2670    0.6440    1.6760 H   0  0  0  0  0
    5.9900   -1.3570   -1.7030 H   0  0  0  0  0
    5.8620   -2.4870   -0.3340 H   0  0  0  0  0
    4.4540   -2.1960   -1.3830 H   0  0  0  0  0
    3.7420    1.2250   -0.1750 H   0  0  0  0  0
    4.6500    0.7990   -1.6450 H   0  0  0  0  0
    3.1740   -0.1000   -1.2190 H   0  0  0  0  0
    5.8160    0.9390    1.1890 H   0  0  0  0  0
    6.7260   -0.5890    1.1150 H   0  0  0  0  0
    9.6490    2.4830   -1.6790 H   0  0  0  0  0
    9.5910   -0.3090   -0.2070 H   0  0  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  5  2  0  0  0
  4  3  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  6  1  2  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12  1  1  0  0  0
 13  8  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 13  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 14  1  0  0  0
 15 43  1  0  0  0
 16 15  1  0  0  0
 17 16  2  0  0  0
 18 19  1  0  0  0
 18 16  1  0  0  0
 18 44  1  0  0  0
 19 45  1  0  0  0
 20 22  1  0  0  0
 20 18  1  0  0  0
 21 20  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 20  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 23  1  0  0  0
 25 24  1  0  0  0
 26 25  1  0  0  0
 26 54  1  0  0  0
 27 25  2  0  0  0
 28 25  1  0  0  0
 28 55  1  0  0  0
M  END
$$$$
