A1JFQ
  CCTOOLS-0522260957

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.5940   -0.6540   -0.1360 C   0  0  0  0  0
   -0.6430   -1.1870    0.8270 C   0  0  0  0  0
   -4.1550   -0.6740   -0.4530 C   0  0  0  0  0
   -7.2380    0.1060    1.1770 C   0  0  0  0  0
   -0.5270   -0.1240   -1.3350 C   0  0  0  0  0
    1.9720    1.9130   -0.0570 C   0  0  0  0  0
    2.4250    0.4760   -0.0630 C   0  0  0  0  0
    3.7170    0.0390    0.0020 C   0  0  0  0  0
    4.9130    0.9030    0.0900 C   0  0  0  0  0
    5.0280    2.0270   -0.7290 C   0  0  0  0  0
    6.1470    2.8300   -0.6410 C   0  0  0  0  0
    7.1540    2.5210    0.2560 C   0  0  0  0  0
    7.0470    1.4080    1.0710 C   0  0  0  0  0
    5.9300    0.6010    0.9980 C   0  0  0  0  0
    2.4240   -1.7730   -0.1130 C   0  0  0  0  0
    2.0060   -3.1270   -0.1670 C   0  0  0  0  0
    0.1140   -0.6550   -0.2160 C   0  0  0  0  0
   -2.0200   -1.1910    0.7450 C   0  0  0  0  0
   -2.6500   -0.6670   -0.3700 C   0  0  0  0  0
   -7.1160    1.2190   -1.1000 C   0  0  0  0  0
   -1.9050   -0.1380   -1.4080 C   0  0  0  0  0
    3.7240   -1.3250   -0.0280 N   0  0  0  0  0
   -6.4500    0.7230    0.1070 N   0  0  0  0  0
    2.9220   -4.1180   -0.1360 O   0  0  0  0  0
    0.8220   -3.3960   -0.2420 O   0  0  0  0  0
   -4.5890    0.8890    1.6660 O   0  0  0  0  0
   -4.4700    1.9740   -0.5540 O   0  0  0  0  0
   -4.8070    0.8610    0.2620 S   0  0  0  0  0
   -0.1520   -1.6000    1.6960 H   0  0  0  0  0
   -4.4610   -0.7470   -1.4970 H   0  0  0  0  0
   -4.5460   -1.5270    0.1000 H   0  0  0  0  0
   -7.3140   -0.9660    0.9990 H   0  0  0  0  0
   -6.7490    0.2820    2.1350 H   0  0  0  0  0
   -8.2360    0.5440    1.1920 H   0  0  0  0  0
    0.0540    0.2890   -2.1460 H   0  0  0  0  0
    1.8040    2.2370    0.9700 H   0  0  0  0  0
    2.7400    2.5380   -0.5140 H   0  0  0  0  0
    1.0450    2.0040   -0.6230 H   0  0  0  0  0
    4.2430    2.2690   -1.4300 H   0  0  0  0  0
    6.2370    3.7000   -1.2740 H   0  0  0  0  0
    8.0290    3.1520    0.3200 H   0  0  0  0  0
    7.8370    1.1730    1.7690 H   0  0  0  0  0
    5.8450   -0.2650    1.6370 H   0  0  0  0  0
   -2.6070   -1.6030    1.5530 H   0  0  0  0  0
   -8.1890    1.0430   -1.0220 H   0  0  0  0  0
   -6.9300    2.2880   -1.2040 H   0  0  0  0  0
   -6.7240    0.6950   -1.9720 H   0  0  0  0  0
   -2.4030    0.2730   -2.2740 H   0  0  0  0  0
    4.5140   -1.8870    0.0050 H   0  0  0  0  0
    2.5430   -5.0060   -0.1780 H   0  0  0  0  0
  1 15  2  0  0  0
  2 17  2  0  0  0
  2 29  1  0  0  0
  3 19  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4 23  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5 21  2  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  6  1  0  0  0
  7  1  1  0  0  0
  8  7  2  0  0  0
  9  8  1  0  0  0
  9 14  1  0  0  0
 10  9  2  0  0  0
 10 39  1  0  0  0
 11 10  1  0  0  0
 11 40  1  0  0  0
 12 11  2  0  0  0
 12 41  1  0  0  0
 13 12  1  0  0  0
 13 42  1  0  0  0
 14 13  2  0  0  0
 14 43  1  0  0  0
 15 22  1  0  0  0
 16 15  1  0  0  0
 17  1  1  0  0  0
 17  5  1  0  0  0
 18  2  1  0  0  0
 18 44  1  0  0  0
 19 18  2  0  0  0
 20 23  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 19  1  0  0  0
 21 48  1  0  0  0
 22  8  1  0  0  0
 22 49  1  0  0  0
 23 28  1  0  0  0
 24 16  1  0  0  0
 24 50  1  0  0  0
 25 16  2  0  0  0
 26 28  2  0  0  0
 27 28  2  0  0  0
 28  3  1  0  0  0
M  END
$$$$
