P1G
  CCTOOLS-0919241030

 42 45  0  0  1  0  0  0  0  0999 V2000
    3.9650    0.7400   -1.0270 O   0  0  0  0  0
    3.1520    1.9750   -0.3890 P   0  0  0  0  0
    3.8900    3.3550   -0.7650 O   0  0  0  0  0
    1.7740    1.9890   -0.9290 O   0  0  0  0  0
    3.0930    1.7910    1.4240 C   0  0  0  0  0
    2.2830    0.5430    1.7840 C   0  0  0  0  0
    2.8730   -0.6300    1.1840 O   0  0  0  0  0
    0.9590    0.6180    1.2140 O   0  0  0  0  0
    0.4940   -0.7600    1.1700 C   0  0  0  0  0
    1.8050   -1.5980    1.1430 C   0  0  0  0  0
    1.7920   -2.2620   -0.2500 C   0  0  0  0  0
    2.3610   -3.6810   -0.1710 C   0  0  0  0  0
    2.3820   -4.2590   -1.4780 O   0  0  0  0  0
    0.4000   -2.3000   -0.6310 O   0  0  0  0  0
   -0.1440   -1.0300   -0.2100 C   0  0  0  0  0
   -1.6010   -1.1150   -0.0900 N   0  0  0  0  0
   -2.3320   -2.2540    0.0860 C   0  0  0  0  0
   -3.5980   -1.9600    0.1510 N   0  0  0  0  0
   -3.7550   -0.6200    0.0220 C   0  0  0  0  0
   -2.4790   -0.0660   -0.1340 C   0  0  0  0  0
   -2.3450    1.2570   -0.2830 N   0  0  0  0  0
   -3.3930    2.0500   -0.2870 C   0  0  0  0  0
   -3.2060    3.4010   -0.4440 N   0  0  0  0  0
   -4.6600    1.5710   -0.1350 N   0  0  0  0  0
   -4.8740    0.2450    0.0160 C   0  0  0  0  0
   -6.0040   -0.1940    0.1480 O   0  0  0  0  0
    4.8550    0.7670   -0.6500 H   0  0  0  0  0
    3.9000    3.4130   -1.7300 H   0  0  0  0  0
    2.6200    2.6700    1.8630 H   0  0  0  0  0
    4.1060    1.6910    1.8120 H   0  0  0  0  0
    2.2250    0.4280    2.8660 H   0  0  0  0  0
   -0.1650   -1.0090    2.0010 H   0  0  0  0  0
    1.8630   -2.3220    1.9550 H   0  0  0  0  0
    2.3630   -1.6650   -0.9610 H   0  0  0  0  0
    3.3750   -3.6440    0.2260 H   0  0  0  0  0
    1.7350   -4.2870    0.4840 H   0  0  0  0  0
    2.7460   -5.1500   -1.3830 H   0  0  0  0  0
    0.1330   -0.2470   -0.9150 H   0  0  0  0  0
   -1.9210   -3.2500    0.1600 H   0  0  0  0  0
   -2.3100    3.7580   -0.5490 H   0  0  0  0  0
   -3.9700    3.9980   -0.4520 H   0  0  0  0  0
   -5.4120    2.1830   -0.1420 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  2  5  1  0  0  0
  3 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 31  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
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 16 20  1  0  0  0
 17 18  2  0  0  0
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 19 20  2  0  0  0
 19 25  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 26  2  0  0  0
M  END
$$$$
