A1JHD
  CCTOOLS-0522260957

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.2430    0.5390    2.2680 O   0  0  0  0  0
    2.3370    0.7430    1.0760 C   0  0  0  0  0
    3.5460    0.7160    0.4810 N   0  0  0  0  0
    4.7460    0.4410    1.2730 C   0  0  0  0  0
    5.9570    0.4680    0.3770 C   0  0  0  0  0
    6.3060   -0.6160   -0.2950 N   0  0  0  0  0
    7.3680   -0.5920   -1.0810 C   0  0  0  0  0
    8.1140    0.5670   -1.2020 C   0  0  0  0  0
    9.3240    0.5940   -2.0990 C   0  0  0  0  0
    7.7650    1.6500   -0.5310 N   0  0  0  0  0
    6.7000    1.6280    0.2520 C   0  0  0  0  0
    1.1010    1.0200    0.2590 C   0  0  0  0  0
   -0.2000    1.0100    1.0820 C   0  0  0  0  0
    0.5400   -0.2220   -0.4580 C   0  0  0  0  0
   -0.2790   -0.4310    0.7570 N   0  0  0  0  0
   -1.5740   -0.7960    0.4250 C   0  0  0  0  0
   -1.8730   -2.1180    0.0830 C   0  0  0  0  0
   -0.6330   -3.3320    0.0640 CL  0  0  0  0  0
   -3.1780   -2.4350   -0.2400 C   0  0  0  0  0
   -4.1010   -1.4850   -0.2150 N   0  0  0  0  0
   -2.5510    0.1040    0.4340 N   0  0  0  0  0
   -3.7890   -0.2400    0.1130 C   0  0  0  0  0
   -4.7830    0.7230    0.1260 N   0  0  0  0  0
   -6.1600    0.3610   -0.2200 C   0  0  0  0  0
   -7.0520    1.6000   -0.1270 C   0  0  0  0  0
   -8.4320    1.2370   -0.4750 N   0  0  0  0  0
   -9.3580    2.3360   -0.1710 C   0  0  0  0  0
   -8.5330    0.8380   -1.8850 C   0  0  0  0  0
    3.6200    0.8790   -0.4730 H   0  0  0  0  0
    4.8520    1.1990    2.0490 H   0  0  0  0  0
    4.6590   -0.5420    1.7360 H   0  0  0  0  0
    7.6530   -1.4780   -1.6300 H   0  0  0  0  0
    9.0260    0.8990   -3.1030 H   0  0  0  0  0
   10.0520    1.3030   -1.7060 H   0  0  0  0  0
    9.7700   -0.4000   -2.1390 H   0  0  0  0  0
    6.4120    2.5150    0.7970 H   0  0  0  0  0
    1.2050    1.8910   -0.3870 H   0  0  0  0  0
   -0.0510    1.2140    2.1420 H   0  0  0  0  0
   -1.0020    1.6040    0.6420 H   0  0  0  0  0
   -0.0450    0.0110   -1.3470 H   0  0  0  0  0
    1.2820   -1.0030   -0.6270 H   0  0  0  0  0
   -3.4430   -3.4470   -0.5090 H   0  0  0  0  0
   -4.5680    1.6390    0.3650 H   0  0  0  0  0
   -6.1870   -0.0320   -1.2360 H   0  0  0  0  0
   -6.5210   -0.3990    0.4730 H   0  0  0  0  0
   -7.0240    1.9930    0.8890 H   0  0  0  0  0
   -6.6910    2.3600   -0.8200 H   0  0  0  0  0
   -9.0750    3.2190   -0.7440 H   0  0  0  0  0
  -10.3730    2.0400   -0.4370 H   0  0  0  0  0
   -9.3140    2.5650    0.8940 H   0  0  0  0  0
   -7.8890   -0.0220   -2.0660 H   0  0  0  0  0
   -9.5650    0.5750   -2.1150 H   0  0  0  0  0
   -8.2190    1.6670   -2.5200 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 11  2  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 37  1  0  0  0
 13 15  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 21  2  0  0  0
 17 18  1  0  0  0
 17 19  2  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 22  2  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 24 25  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 28  1  0  0  0
 27 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 28 51  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
M  END
$$$$
