AS
  CCTOOLS-0807261402

 36 38  0  0  1  0  0  0  0  0999 V2000
   -4.5210    0.6850   -0.4270 P   0  0  0  0  0
   -4.7710    1.6890   -1.6600 O   0  0  0  0  0
   -4.4350    1.6590    1.1600 S   0  0  0  0  0
   -5.7310   -0.3730   -0.3410 O   0  0  0  0  0
   -3.1340   -0.1020   -0.6490 O   0  0  0  0  0
   -2.4730   -0.8240    0.3930 C   0  0  0  0  0
   -1.1890   -1.4500   -0.1560 C   0  0  0  0  0
   -0.2380   -0.4250   -0.5150 O   0  0  0  0  0
   -0.4570   -2.2510    0.9510 C   0  0  0  0  0
   -0.9580   -3.5880    1.0280 O   0  0  0  0  0
    1.0060   -2.2380    0.4460 C   0  0  0  0  0
    1.0600   -1.0430   -0.5250 C   0  0  0  0  0
    2.0720   -0.0830   -0.0780 N   0  0  0  0  0
    1.8550    1.0140    0.7030 C   0  0  0  0  0
    2.9750    1.6430    0.9070 N   0  0  0  0  0
    3.9800    0.9930    0.2720 C   0  0  0  0  0
    5.3640    1.2010    0.1410 C   0  0  0  0  0
    5.9790    2.2820    0.7480 N   0  0  0  0  0
    6.0680    0.3340   -0.5800 N   0  0  0  0  0
    5.4900   -0.7000   -1.1630 C   0  0  0  0  0
    4.1980   -0.9340   -1.0670 N   0  0  0  0  0
    3.4140   -0.1250   -0.3620 C   0  0  0  0  0
   -5.5910    2.1970   -1.5930 H   0  0  0  0  0
   -5.8350   -0.9160   -1.1350 H   0  0  0  0  0
   -2.2270   -0.1430    1.2070 H   0  0  0  0  0
   -3.1310   -1.6100    0.7630 H   0  0  0  0  0
   -1.4090   -2.0870   -1.0130 H   0  0  0  0  0
   -0.5410   -1.7500    1.9150 H   0  0  0  0  0
   -0.5300   -4.1290    1.7060 H   0  0  0  0  0
    1.6950   -2.0860    1.2770 H   0  0  0  0  0
    1.2380   -3.1660   -0.0780 H   0  0  0  0  0
    1.2970   -1.3920   -1.5300 H   0  0  0  0  0
    0.8940    1.3150    1.0940 H   0  0  0  0  0
    5.4540    2.9070    1.2720 H   0  0  0  0  0
    6.9350    2.4140    0.6500 H   0  0  0  0  0
    6.1000   -1.3800   -1.7390 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  2  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 27  1  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 22  2  0  0  0
 17 18  1  0  0  0
 17 19  2  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
M  END
$$$$
