7MT
  CCTOOLS-0919241029

 53 61  0  0  0  0  0  0  0  0999 V2000
   39.9040   30.2680    0.8360 C   0  0  0  0  0
   45.7670   27.2870    5.0400 C   0  0  0  0  0
   42.3960   30.6710    1.8820 C   0  0  0  0  0
   46.7630   28.4980    2.4190 C   0  0  0  0  0
   45.9580   29.7840    2.7280 C   0  0  0  0  0
   46.1210   26.4110    1.4070 C   0  0  0  0  0
   45.5240   27.0030    0.1320 C   0  0  0  0  0
   44.2160   28.9660   -0.2760 C   0  0  0  0  0
   44.9500   30.0440    0.5210 C   0  0  0  0  0
   46.5490   27.3170    6.1910 C   0  0  0  0  0
   46.0970   27.9600    7.2990 C   0  0  0  0  0
   44.8800   28.5690    7.2800 C   0  0  0  0  0
   44.1060   28.5280    6.1210 C   0  0  0  0  0
   42.7370   29.2050    6.0790 C   0  0  0  0  0
   41.6720   31.7420    1.3830 C   0  0  0  0  0
   40.4280   31.5340    0.8610 C   0  0  0  0  0
   40.6540   29.2040    1.3460 C   0  0  0  0  0
   40.1210   27.7730    1.3450 C   0  0  0  0  0
   43.8080   30.8800    2.4750 C   0  0  0  0  0
   46.2730   26.5480    3.7740 C   0  0  0  0  0
   45.9050   27.2940    2.5400 N   0  3  0  0  0
   44.2760   27.7100    0.4490 N   0  3  0  0  0
   44.6920   29.8230    1.9520 N   0  3  0  0  0
   44.5620   27.8860    5.0190 N   0  3  0  0  0
   41.8920   29.4260    1.8620 N   0  3  0  0  0
   38.9520   27.5210    0.9560 O   0  0  0  0  0
   40.8750   26.8510    1.7440 O   0  0  0  0  0
   42.0160   29.0870    5.0550 O   0  0  0  0  0
   42.3370   29.8740    7.0660 O   0  0  0  0  0
   43.2870   27.7730    2.8520 TB  0  0  0  0  0
   38.9200   30.0940    0.4260 H   0  0  0  0  0
   47.1570   28.5580    1.3940 H   0  0  0  0  0
   47.5990   28.4170    3.1290 H   0  0  0  0  0
   45.7220   29.8100    3.8020 H   0  0  0  0  0
   46.5680   30.6610    2.4650 H   0  0  0  0  0
   45.6450   25.4410    1.6110 H   0  0  0  0  0
   47.2020   26.2660    1.2650 H   0  0  0  0  0
   46.2410   27.7090   -0.3130 H   0  0  0  0  0
   45.3140   26.1940   -0.5830 H   0  0  0  0  0
   43.1650   29.2610   -0.4130 H   0  0  0  0  0
   44.6940   28.8460   -1.2590 H   0  0  0  0  0
   46.0300   29.9800    0.3240 H   0  0  0  0  0
   44.5820   31.0380    0.2270 H   0  0  0  0  0
   47.5130   26.8300    6.2030 H   0  0  0  0  0
   46.7020   27.9880    8.1930 H   0  0  0  0  0
   44.5160   29.0810    8.1580 H   0  0  0  0  0
   42.0900   32.7370    1.4070 H   0  0  0  0  0
   39.8590   32.3640    0.4690 H   0  0  0  0  0
   44.1930   31.8670    2.1790 H   0  0  0  0  0
   43.7630   30.8180    3.5720 H   0  0  0  0  0
   47.3680   26.4550    3.8250 H   0  0  0  0  0
   45.8210   25.5460    3.7370 H   0  0  0  0  0
   43.5660   27.1490    0.0240 H   0  0  0  0  0
  1 16  2  0  0  0
  1 17  1  0  0  0
  1 31  1  0  0  0
  2 10  2  0  0  0
  2 20  1  0  0  0
  2 24  1  0  0  0
  3 15  2  0  0  0
  3 19  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 23  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7 22  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 23  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 13 14  1  0  0  0
 13 24  2  0  0  0
 14 28  1  0  0  0
 14 29  2  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 25  2  0  0  0
 18 26  2  0  0  0
 18 27  1  0  0  0
 19 23  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 20 51  1  0  0  0
 20 52  1  0  0  0
 21 30  1  0  0  0
 22 30  1  0  0  0
 22 53  1  0  0  0
 23 30  1  0  0  0
 24 30  1  0  0  0
 25 30  1  0  0  0
 27 30  1  0  0  0
 28 30  1  0  0  0
M  CHG  1  21   1
M  CHG  1  22   1
M  CHG  1  23   1
M  CHG  1  24   1
M  CHG  1  25   1
M  END
$$$$
