VQX
  CCTOOLS-1004241121

 50 51  0  0  1  0  0  0  0  0999 V2000
    2.2840    0.6070   -0.8870 N   0  0  0  0  0
    3.1380   -0.4150   -1.4770 C   0  0  0  0  0
    3.7180    0.9140   -1.0220 C   0  0  0  0  0
    4.5080    1.0120    0.2740 C   0  0  0  0  0
    5.7030    1.9420    0.0580 C   0  0  0  0  0
    1.0550    0.9970   -0.4950 C   0  0  0  0  0
   -1.3880    0.7500   -0.1480 C   0  0  0  0  0
   -5.0420   -0.4520    0.0190 C   0  0  0  0  0
    5.0140   -0.3370    0.7410 C   0  0  0  0  0
    6.3870    2.1360    1.2970 O   0  0  0  0  0
    3.9530   -1.4130    0.6890 C   0  0  0  0  0
    6.1100   -0.7300   -0.0870 O   0  0  0  0  0
    3.4720   -1.6770   -0.7090 C   0  0  0  0  0
    4.4950   -2.6210    1.2280 O   0  0  0  0  0
    2.2920   -2.4810   -0.6470 O   0  0  0  0  0
    0.8950    2.0930   -0.0020 O   0  0  0  0  0
   -0.1200    0.0700   -0.6700 C   0  0  0  0  0
   -2.5810   -0.1910   -0.3260 C   0  0  0  0  0
   -3.8490    0.4890    0.1960 C   0  0  0  0  0
    3.0450   -0.5500   -2.5550 H   0  0  0  0  0
    4.0060    1.6250   -1.7960 H   0  0  0  0  0
    3.8670    1.4350    1.0480 H   0  0  0  0  0
    6.3840    1.4970   -0.6680 H   0  0  0  0  0
    5.3520    2.9040   -0.3170 H   0  0  0  0  0
   -1.2650    0.9850    0.9090 H   0  0  0  0  0
   -1.5640    1.6690   -0.7070 H   0  0  0  0  0
   -5.1650   -0.6880   -1.0390 H   0  0  0  0  0
   -4.8660   -1.3710    0.5780 H   0  0  0  0  0
    5.3670   -0.2430    1.7680 H   0  0  0  0  0
    7.1580    2.7170    1.2350 H   0  0  0  0  0
    3.1080   -1.1040    1.3050 H   0  0  0  0  0
    6.4930   -1.5860    0.1470 H   0  0  0  0  0
    4.2430   -2.2260   -1.2490 H   0  0  0  0  0
    4.7880   -2.5450    2.1470 H   0  0  0  0  0
    2.4210   -3.3370   -0.2180 H   0  0  0  0  0
   -0.2430   -0.1660   -1.7270 H   0  0  0  0  0
    0.0550   -0.8490   -0.1110 H   0  0  0  0  0
   -2.7040   -0.4270   -1.3830 H   0  0  0  0  0
   -2.4060   -1.1100    0.2330 H   0  0  0  0  0
   -4.0250    1.4080   -0.3630 H   0  0  0  0  0
   -3.7260    0.7240    1.2530 H   0  0  0  0  0
   -6.3100    0.2280    0.5400 C   0  0  0  0  0
   -7.5030   -0.7130    0.3630 C   0  0  0  0  0
   -8.7170   -0.0620    0.8620 N   0  0  0  0  0
   -9.5840    0.1170    0.1700 N   0  3  0  0  0
  -10.4510    0.2960   -0.5230 N   0  5  0  0  0
   -6.1870    0.4630    1.5970 H   0  0  0  0  0
   -6.4850    1.1470   -0.0190 H   0  0  0  0  0
   -7.6260   -0.9490   -0.6950 H   0  0  0  0  0
   -7.3270   -1.6320    0.9220 H   0  0  0  0  0
  1  2  1  0  0  0
  2 20  1  0  0  0
  3  2  1  0  0  0
  3  1  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  3  1  0  0  0
  4 22  1  0  0  0
  5 10  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 16  2  0  0  0
  6  1  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 19  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  8 42  1  0  0  0
  9 12  1  0  0  0
  9  4  1  0  0  0
  9 29  1  0  0  0
 10 30  1  0  0  0
 11  9  1  0  0  0
 11 13  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 15  1  0  0  0
 13  2  1  0  0  0
 13 33  1  0  0  0
 14 11  1  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 17  6  1  0  0  0
 17  7  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18  7  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 18  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 42 43  1  0  0  0
 42 47  1  0  0  0
 42 48  1  0  0  0
 43 44  1  0  0  0
 43 49  1  0  0  0
 43 50  1  0  0  0
 44 45  2  0  0  0
 45 46  2  0  0  0
M  CHG  1  45   1
M  CHG  1  46  -1
M  END
$$$$
