LQB
  CCTOOLS-0919241031

 46 49  0  0  0  0  0  0  0  0999 V2000
   -1.6650    0.2640   -0.0750 C   0  0  0  0  0
   -2.0400    1.5630    0.2380 C   0  0  0  0  0
   -4.4110   -1.8660   -0.7940 C   0  0  0  0  0
    2.4390   -0.3930    0.4180 C   0  0  0  0  0
   -1.0860    2.5600    0.3150 C   0  0  0  0  0
    3.9120   -0.6350    0.2210 C   0  0  0  0  0
    2.8090    1.8730   -0.3150 C   0  0  0  0  0
    0.2430    2.2680    0.0810 C   0  0  0  0  0
    4.7240    0.2890   -0.4020 C   0  0  0  0  0
    4.1790    1.5910   -0.9320 C   0  0  0  0  0
   -1.6460   -2.2950    1.6170 C   0  0  0  0  0
   -5.6780   -2.2820   -1.4960 C   0  0  0  0  0
    4.4540   -1.8250    0.6830 C   0  0  0  0  0
    6.0770    0.0260   -0.5570 C   0  0  0  0  0
    5.8000   -2.0870    0.5260 C   0  0  0  0  0
    6.6140   -1.1580   -0.0950 C   0  0  0  0  0
   -2.6330   -0.7470   -0.1540 N   0  0  0  0  0
   -3.4640    1.8810    0.4900 N   0  3  0  0  0
   -3.7430   -0.7610   -1.0080 N   0  0  0  0  0
   -2.6560   -1.8850    0.5760 C   0  0  0  0  0
   -0.3310   -0.0330   -0.3170 C   0  0  0  0  0
    1.9700    0.6740   -0.4710 N   0  0  0  0  0
   -3.7490   -2.5910    0.2030 C   0  0  0  0  0
    0.6260    0.9690   -0.2330 C   0  0  0  0  0
   -3.8090    3.0370    0.6560 O   0  5  0  0  0
   -4.2890    0.9870    0.5320 O   0  0  0  0  0
    1.8910   -1.3100    0.2010 H   0  0  0  0  0
    2.2570   -0.1050    1.4540 H   0  0  0  0  0
   -1.3810    3.5700    0.5590 H   0  0  0  0  0
    2.9240    2.1030    0.7450 H   0  0  0  0  0
    2.3450    2.7170   -0.8240 H   0  0  0  0  0
    0.9870    3.0490    0.1420 H   0  0  0  0  0
    4.0820    1.5280   -2.0150 H   0  0  0  0  0
    4.8640    2.4000   -0.6780 H   0  0  0  0  0
   -1.9550   -1.9160    2.5910 H   0  0  0  0  0
   -1.5820   -3.3820    1.6530 H   0  0  0  0  0
   -0.6710   -1.8820    1.3590 H   0  0  0  0  0
   -6.5390   -1.9020   -0.9460 H   0  0  0  0  0
   -5.6840   -1.8750   -2.5070 H   0  0  0  0  0
   -5.7270   -3.3700   -1.5410 H   0  0  0  0  0
    3.8190   -2.5510    1.1690 H   0  0  0  0  0
    6.7130    0.7520   -1.0420 H   0  0  0  0  0
    6.2170   -3.0150    0.8890 H   0  0  0  0  0
    7.6680   -1.3580   -0.2180 H   0  0  0  0  0
   -0.0380   -1.0420   -0.5660 H   0  0  0  0  0
   -4.0560   -3.5460    0.6040 H   0  0  0  0  0
  1 17  1  0  0  0
  1 21  1  0  0  0
  2  1  2  0  0  0
  3 23  1  0  0  0
  4 22  1  0  0  0
  4  6  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  2  1  0  0  0
  5  8  2  0  0  0
  5 29  1  0  0  0
  6  9  2  0  0  0
  7 10  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 24  1  0  0  0
  8 32  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12  3  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 15  2  0  0  0
 13  6  1  0  0  0
 13 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 14  2  0  0  0
 16 44  1  0  0  0
 17 20  1  0  0  0
 18  2  1  0  0  0
 19 17  1  0  0  0
 19  3  2  0  0  0
 20 23  2  0  0  0
 20 11  1  0  0  0
 21 45  1  0  0  0
 22  7  1  0  0  0
 23 46  1  0  0  0
 24 21  2  0  0  0
 24 22  1  0  0  0
 25 18  1  0  0  0
 26 18  2  0  0  0
M  CHG  1  18   1
M  CHG  1  25  -1
M  END
$$$$
