9BU
  CCTOOLS-0919241037

 57 57  0  0  0  0  0  0  0  0999 V2000
    6.7600    2.8090    1.3820 C   0  0  0  0  0
    7.1970    2.3670   -0.0160 C   0  0  0  0  0
    8.7230    2.4120   -0.1120 C   0  0  0  0  0
    6.7180    0.9610   -0.2710 C   0  0  0  0  0
    7.5160    0.0840   -0.5050 O   0  0  0  0  0
    5.4060    0.6830   -0.2380 O   0  0  0  0  0
    5.0170   -0.6930   -0.4930 C   0  0  0  0  0
    3.5170   -0.8140   -0.4150 C   0  0  0  0  0
    2.9730   -1.8060    0.2450 C   0  0  0  0  0
    3.8420   -2.8970    0.8150 C   0  0  0  0  0
    1.4790   -1.8550    0.4350 C   0  0  0  0  0
    0.8540   -2.7220   -0.6600 C   0  0  0  0  0
   -0.6400   -2.7720   -0.4700 C   0  0  0  0  0
   -1.2470   -3.7790    0.4730 C   0  0  0  0  0
   -1.4110   -1.9390   -1.1240 C   0  0  0  0  0
   -2.9090   -2.0430   -0.9980 C   0  0  0  0  0
   -3.4650   -0.7280   -0.5160 C   0  0  0  0  0
   -3.8410    0.2420   -1.4280 C   0  0  0  0  0
   -3.7110    0.0130   -2.7590 O   0  0  0  0  0
   -4.3590    1.4660   -0.9680 C   0  0  0  0  0
   -4.7610    2.5000   -1.9240 C   0  0  0  0  0
   -4.6480    2.3030   -3.1160 O   0  0  0  0  0
   -4.4900    1.6900    0.4090 C   0  0  0  0  0
   -5.0450    2.9990    0.9100 C   0  0  0  0  0
   -4.1150    0.7240    1.2980 C   0  0  0  0  0
   -4.2790    1.0080    3.0020 CL  0  0  0  0  0
   -3.6060   -0.4910    0.8440 C   0  0  0  0  0
   -3.2370   -1.4440    1.7370 O   0  0  0  0  0
    5.6730    2.7780    1.4500 H   0  0  0  0  0
    7.1900    2.1390    2.1260 H   0  0  0  0  0
    7.1070    3.8260    1.5660 H   0  0  0  0  0
    6.7670    3.0380   -0.7600 H   0  0  0  0  0
    9.1530    1.7410    0.6320 H   0  0  0  0  0
    9.0350    2.0970   -1.1080 H   0  0  0  0  0
    9.0700    3.4290    0.0720 H   0  0  0  0  0
    5.3540   -0.9880   -1.4870 H   0  0  0  0  0
    5.4730   -1.3430    0.2530 H   0  0  0  0  0
    2.8900   -0.0820   -0.9040 H   0  0  0  0  0
    4.2200   -2.5890    1.7900 H   0  0  0  0  0
    3.2540   -3.8090    0.9250 H   0  0  0  0  0
    4.6790   -3.0840    0.1430 H   0  0  0  0  0
    1.2510   -2.2830    1.4120 H   0  0  0  0  0
    1.0710   -0.8460    0.3760 H   0  0  0  0  0
    1.0820   -2.2950   -1.6360 H   0  0  0  0  0
    1.2620   -3.7320   -0.6010 H   0  0  0  0  0
   -0.4520   -4.3330    0.9730 H   0  0  0  0  0
   -1.8520   -3.2610    1.2170 H   0  0  0  0  0
   -1.8740   -4.4710   -0.0890 H   0  0  0  0  0
   -0.9740   -1.1790   -1.7540 H   0  0  0  0  0
   -3.3400   -2.2850   -1.9700 H   0  0  0  0  0
   -3.1610   -2.8280   -0.2850 H   0  0  0  0  0
   -4.4900   -0.3900   -3.1670 H   0  0  0  0  0
   -5.1590    3.4390   -1.5680 H   0  0  0  0  0
   -6.1280    2.9220    1.0050 H   0  0  0  0  0
   -4.6100    3.2300    1.8820 H   0  0  0  0  0
   -4.7970    3.7920    0.2040 H   0  0  0  0  0
   -3.9470   -2.0550    1.9770 H   0  0  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  1  1  0  0  0
  2 32  1  0  0  0
  3  2  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  2  1  0  0  0
  6  4  1  0  0  0
  7  6  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  7  1  0  0  0
  8 38  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11  9  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 12  1  0  0  0
 13 15  2  0  0  0
 14 13  1  0  0  0
 14 46  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 17 18  2  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 53  1  0  0  0
 23 24  1  0  0  0
 23 20  2  0  0  0
 24 54  1  0  0  0
 24 55  1  0  0  0
 24 56  1  0  0  0
 25 23  1  0  0  0
 26 25  1  0  0  0
 27 25  2  0  0  0
 27 17  1  0  0  0
 28 27  1  0  0  0
 28 57  1  0  0  0
M  END
$$$$
