PJN
  CCTOOLS-0410261002

 47 50  0  0  1  0  0  0  0  0999 V2000
   -5.6180    1.4190   -0.9590 C   0  0  0  0  0
   -4.6410    1.3840    0.0150 C   0  0  0  0  0
   -4.5290   -0.3700   -2.1320 C   0  0  0  0  0
   -3.5960    0.4630   -0.0820 C   0  0  0  0  0
    0.4980    1.4460   -1.2200 C   0  0  0  0  0
    1.2600    2.5980   -1.1790 C   0  0  0  0  0
    1.1730    0.9190    1.0160 C   0  0  0  0  0
    0.4520    0.6080   -0.1220 C   0  0  0  0  0
   -0.3840   -0.6460   -0.1640 C   0  0  0  0  0
    2.8430   -1.9400   -0.0580 C   0  0  0  0  0
    3.7990   -3.1350   -1.9040 C   0  0  0  0  0
    2.5330   -3.4610   -2.3530 C   0  0  0  0  0
   -2.5460    0.4200    0.9580 C   0  0  0  0  0
   -1.4750   -0.5780    0.8770 C   0  0  0  0  0
   -1.2740   -1.6160    1.7230 C   0  0  0  0  0
   -0.0860   -2.3760    1.2830 C   0  0  0  0  0
    1.5660   -2.2590   -0.5170 C   0  0  0  0  0
    1.4170   -3.0210   -1.6670 C   0  0  0  0  0
    3.9560   -2.3800   -0.7550 C   0  0  0  0  0
    1.9300    2.0750    1.0590 C   0  0  0  0  0
    1.9760    2.9130   -0.0390 C   0  0  0  0  0
   -5.5630    0.5440   -2.0300 C   0  0  0  0  0
   -3.5460   -0.4160   -1.1660 C   0  0  0  0  0
    0.4380   -1.8120    0.1790 N   0  0  0  0  0
    2.7930    4.1470    0.0050 N   0  3  0  0  0
   -2.5710    1.2120    1.8810 O   0  0  0  0  0
   -2.0380   -1.9110    2.7990 O   0  0  0  0  0
    0.3540   -3.3650    1.8360 O   0  0  0  0  0
    2.9960   -1.1930    1.0680 O   0  0  0  0  0
    3.4240    4.4240    1.0090 O   0  0  0  0  0
    2.8340    4.8850   -0.9630 O   0  5  0  0  0
   -6.4300    2.1270   -0.8830 H   0  0  0  0  0
   -4.6860    2.0670    0.8500 H   0  0  0  0  0
   -4.4920   -1.0500   -2.9710 H   0  0  0  0  0
   -0.0650    1.2020   -2.1090 H   0  0  0  0  0
    1.2960    3.2530   -2.0370 H   0  0  0  0  0
    1.1370    0.2650    1.8740 H   0  0  0  0  0
   -0.8190   -0.7720   -1.1560 H   0  0  0  0  0
    4.6680   -3.4810   -2.4430 H   0  0  0  0  0
    2.4160   -4.0500   -3.2510 H   0  0  0  0  0
    0.4290   -3.2700   -2.0260 H   0  0  0  0  0
    4.9460   -2.1270   -0.4070 H   0  0  0  0  0
    2.4860    2.3230    1.9520 H   0  0  0  0  0
   -6.3300    0.5760   -2.7900 H   0  0  0  0  0
   -2.7400   -1.1300   -1.2470 H   0  0  0  0  0
   -1.7440   -2.6910    3.2890 H   0  0  0  0  0
    3.0490   -1.7140    1.8810 H   0  0  0  0  0
  1  2  2  0  0  0
  1 22  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2 33  1  0  0  0
  3 23  1  0  0  0
  3 34  1  0  0  0
  4 13  1  0  0  0
  4 23  2  0  0  0
  5  8  1  0  0  0
  5 35  1  0  0  0
  6  5  2  0  0  0
  6 21  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8  7  2  0  0  0
  9 14  1  0  0  0
  9 38  1  0  0  0
 10 17  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 19  1  0  0  0
 11 39  1  0  0  0
 12 18  1  0  0  0
 12 40  1  0  0  0
 13 26  2  0  0  0
 14 13  1  0  0  0
 15 14  2  0  0  0
 15 27  1  0  0  0
 16 15  1  0  0  0
 17 24  1  0  0  0
 18 17  2  0  0  0
 18 41  1  0  0  0
 19 10  2  0  0  0
 19 42  1  0  0  0
 20  7  1  0  0  0
 20 43  1  0  0  0
 21 20  2  0  0  0
 22  3  2  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
 24 16  1  0  0  0
 24  9  1  0  0  0
 25 21  1  0  0  0
 25 31  1  0  0  0
 27 46  1  0  0  0
 28 16  2  0  0  0
 29 47  1  0  0  0
 30 25  2  0  0  0
M  CHG  1  25   1
M  CHG  1  31  -1
M  END
$$$$
