0YP
  CCTOOLS-0919241031

 53 55  0  0  0  0  0  0  0  0999 V2000
   -1.7020    0.7660    0.5930 C   0  0  0  0  0
   -0.8160   -0.2480    0.5380 N   0  0  0  0  0
   -1.3230    1.8900    0.8610 O   0  0  0  0  0
    0.5520    0.0080    0.6900 C   0  0  0  0  0
    1.3500    2.2090    0.0090 N   0  0  0  0  0
    1.0930    1.7270    2.1630 O   0  0  0  0  0
    1.0140    1.3640    1.0040 C   0  0  0  0  0
    1.9170    3.5310    0.3090 C   0  0  0  0  0
    3.2350    3.6870   -0.4560 C   0  0  0  0  0
    2.9900    3.4310   -1.9450 C   0  0  0  0  0
    2.4830    2.0010   -2.1420 C   0  0  0  0  0
    1.1620    1.8240   -1.3960 C   0  0  0  0  0
    1.4500   -0.9980    0.5460 C   0  0  0  0  0
    2.8900   -0.7110    0.6080 C   0  0  0  0  0
    3.7220   -1.0330   -0.4770 C   0  0  0  0  0
    5.0780   -0.7580   -0.4070 C   0  0  0  0  0
    5.6090   -0.1700    0.7260 C   0  0  0  0  0
    4.7930    0.1490    1.7990 C   0  0  0  0  0
    3.4400   -0.1110    1.7450 C   0  0  0  0  0
   -3.1330    0.5130    0.3220 C   0  0  0  0  0
   -4.0530    1.5620    0.3790 C   0  0  0  0  0
   -5.3870    1.3190    0.1250 C   0  0  0  0  0
   -5.8140    0.0400   -0.1850 C   0  0  0  0  0
   -4.9070   -1.0040   -0.2430 C   0  0  0  0  0
   -3.5690   -0.7740    0.0040 C   0  0  0  0  0
   -7.2470   -0.2130   -0.4560 N   0  3  0  0  0
   -7.6260   -1.3390   -0.7290 O   0  5  0  0  0
    4.1200   -2.0110   -2.6050 C   0  0  0  0  0
   -8.0470    0.7030   -0.4050 O   0  0  0  0  0
    3.2000   -1.6110   -1.5880 O   0  0  0  0  0
    0.8500   -2.7690    0.2660 BR  0  0  0  0  0
   -1.1270   -1.1560    0.3930 H   0  0  0  0  0
    1.2190    4.3070   -0.0030 H   0  0  0  0  0
    2.1020    3.6150    1.3800 H   0  0  0  0  0
    3.6180    4.6980   -0.3190 H   0  0  0  0  0
    3.9630    2.9680   -0.0780 H   0  0  0  0  0
    2.2430    4.1350   -2.3130 H   0  0  0  0  0
    3.9200    3.5670   -2.4970 H   0  0  0  0  0
    2.3300    1.8120   -3.2050 H   0  0  0  0  0
    3.2170    1.2980   -1.7490 H   0  0  0  0  0
    0.8480    0.7810   -1.4510 H   0  0  0  0  0
    0.4000    2.4610   -1.8450 H   0  0  0  0  0
    5.7210   -1.0040   -1.2390 H   0  0  0  0  0
    6.6670    0.0410    0.7750 H   0  0  0  0  0
    5.2180    0.6070    2.6790 H   0  0  0  0  0
    2.8070    0.1440    2.5820 H   0  0  0  0  0
   -3.7210    2.5600    0.6210 H   0  0  0  0  0
   -6.1000    2.1290    0.1690 H   0  0  0  0  0
   -5.2470   -2.0000   -0.4850 H   0  0  0  0  0
   -2.8620   -1.5880   -0.0470 H   0  0  0  0  0
    4.7700   -2.7960   -2.2190 H   0  0  0  0  0
    3.5690   -2.3860   -3.4670 H   0  0  0  0  0
    4.7250   -1.1540   -2.9050 H   0  0  0  0  0
  1 20  1  0  0  0
  2  1  1  0  0  0
  2 32  1  0  0  0
  3  1  2  0  0  0
  4  2  1  0  0  0
  5  7  1  0  0  0
  7  4  1  0  0  0
  7  6  2  0  0  0
  8  5  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9  8  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10  9  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12  5  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13  4  2  0  0  0
 14 13  1  0  0  0
 14 19  2  0  0  0
 15 14  1  0  0  0
 16 15  2  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 26  1  0  0  0
 24 23  1  0  0  0
 24 49  1  0  0  0
 25 24  2  0  0  0
 25 50  1  0  0  0
 26 29  2  0  0  0
 26 27  1  0  0  0
 28 30  1  0  0  0
 28 51  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
 30 15  1  0  0  0
 31 13  1  0  0  0
M  CHG  1  26   1
M  CHG  1  27  -1
M  END
$$$$
