PTT
  CCTOOLS-0919241033

 77 85  0  0  1  0  0  0  0  0999 V2000
   52.2830   27.0230   93.3760 C   0  0  0  0  0
   51.1770   27.5740   92.4450 C   0  0  0  0  0
   51.8560   27.9980   91.1220 C   0  0  0  0  0
   53.0430   26.9330   90.4470 S   0  0  0  0  0
   51.6920   29.2400   90.6260 C   0  0  0  0  0
   52.4060   29.7590   89.1430 S   0  0  0  0  0
   53.9180   27.9700   88.3860 W   0  0  0  0  0
   50.7660   30.3000   91.2680 C   0  0  0  0  0
   51.5920   31.2850   91.9700 N   0  0  0  0  0
   50.8700   32.2690   92.5460 C   0  0  0  0  0
   51.2710   33.6300   92.5990 C   0  0  0  0  0
   52.4890   33.9990   92.0970 O   0  0  0  0  0
   50.5020   34.5060   93.2840 N   0  0  0  0  0
   49.3710   34.1520   93.9730 C   0  0  0  0  0
   48.5740   35.0500   94.5850 N   0  0  0  0  0
   48.9750   32.8640   93.9470 N   0  0  0  0  0
   49.6690   31.9310   93.2380 C   0  0  0  0  0
   49.3050   30.6450   93.2570 N   0  0  0  0  0
   50.0670   29.6600   92.5050 C   0  0  0  0  0
   50.8830   28.7340   93.1590 O   0  0  0  0  0
   56.7730   29.8610   92.0320 C   0  0  0  0  0
   57.7780   29.2250   91.0510 C   0  0  0  0  0
   56.8050   28.5000   90.0800 C   0  0  0  0  0
   55.7700   29.4920   89.0940 S   0  0  0  0  0
   56.7610   27.1090   89.9540 C   0  0  0  0  0
   55.6590   26.3060   88.8490 S   0  0  0  0  0
   57.7070   26.2060   90.7350 C   0  0  0  0  0
   57.0760   25.8540   92.0130 N   0  0  0  0  0
   57.9900   25.3300   92.9150 C   0  0  0  0  0
   57.6160   24.5120   94.0120 C   0  0  0  0  0
   56.3030   24.1450   94.1670 O   0  0  0  0  0
   58.5740   24.0200   94.8180 N   0  0  0  0  0
   59.9140   24.1190   94.5650 C   0  0  0  0  0
   60.7700   23.5610   95.4550 N   0  0  0  0  0
   60.3530   24.8530   93.5270 N   0  0  0  0  0
   59.4340   25.4890   92.7560 C   0  0  0  0  0
   59.8690   26.4250   91.9060 N   0  0  0  0  0
   58.9500   27.1160   91.0220 C   0  0  0  0  0
   58.6330   28.3120   91.6880 O   0  0  0  0  0
   52.4120   26.8000   96.0100 P   0  0  0  0  0
   56.9620   31.2140   94.2560 P   0  0  0  0  0
   54.6400   29.2070   95.5250 MG  0  0  0  0  0
   54.0740   35.1990   91.3950 C   0  0  0  0  0
   52.8940   28.2880   95.9950 O   0  0  0  0  0
   51.3690   26.6090   97.1660 O   0  0  0  0  0
   53.5710   25.8550   96.0310 O   0  0  0  0  0
   51.6800   26.5810   94.5960 O   0  0  0  0  0
   56.4140   30.0450   95.1220 O   0  0  0  0  0
   58.0840   32.0740   94.8860 O   0  0  0  0  0
   55.8110   32.0480   93.9110 O   0  0  0  0  0
   57.5670   30.6590   92.9420 O   0  0  0  0  0
   53.8250   28.8610   86.4690 O   0  0  0  0  0
   53.0160   27.0480   92.5360 H   0  0  0  0  0
   50.3240   26.8950   92.2110 H   0  0  0  0  0
   50.0990   30.6950   90.4660 H   0  0  0  0  0
   52.3020   31.6710   91.3480 H   0  0  0  0  0
   47.7320   34.7860   95.0970 H   0  0  0  0  0
   48.3020   35.7420   93.8870 H   0  0  0  0  0
   48.3270   30.5820   92.9710 H   0  0  0  0  0
   49.2440   28.9730   92.1950 H   0  0  0  0  0
   55.9190   29.4200   91.4650 H   0  0  0  0  0
   58.4700   29.9540   90.5690 H   0  0  0  0  0
   57.9650   25.2670   90.1910 H   0  0  0  0  0
   56.2870   25.2220   91.8750 H   0  0  0  0  0
   58.2670   23.5450   95.6670 H   0  0  0  0  0
   61.7690   23.6340   95.2660 H   0  0  0  0  0
   60.5250   22.5790   95.5840 H   0  0  0  0  0
   60.6090   26.0150   91.3360 H   0  0  0  0  0
   59.3790   27.3450   90.0180 H   0  0  0  0  0
   55.0660   35.4990   90.9850 H   0  0  0  0  0
   53.4720   35.7280   90.6190 H   0  0  0  0  0
   54.1320   35.8420   92.3030 H   0  0  0  0  0
   53.6170   25.7750   96.9760 H   0  0  0  0  0
   55.8790   32.5400   94.7200 H   0  0  0  0  0
   54.1610   29.2600   85.6750 H   0  0  0  0  0
   56.1100   30.2520   92.8180 H   0  0  0  0  0
   53.0380   26.9130   94.1680 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END
$$$$
