M00
  CCTOOLS-0919241032

 40 41  0  0  1  0  0  0  0  0999 V2000
    5.2420    1.3090   -2.1690 C   0  0  0  0  0
    5.6380    1.0260   -0.7190 C   0  0  0  0  0
    4.7710   -0.1060   -0.1650 C   0  0  0  0  0
    5.2490   -0.4740    1.2410 C   0  0  0  0  0
    5.2520    0.6950    2.0630 O   0  0  0  0  0
    3.3740    0.3310   -0.1080 N   0  0  0  0  0
    2.3810   -0.5790   -0.1480 C   0  0  0  0  0
    2.6430   -1.7600   -0.2320 O   0  0  0  0  0
    0.9440   -0.1280   -0.0890 C   0  0  0  0  0
    0.0240   -1.3490   -0.1510 C   0  0  0  0  0
   -1.4130   -0.8990   -0.0920 C   0  0  0  0  0
   -1.6570    0.3730   -0.0020 N   0  0  0  0  0
   -2.9250    0.8520    0.0550 C   0  0  0  0  0
   -3.1870    2.2200    0.1520 C   0  0  0  0  0
   -4.4900    2.6620    0.2080 C   0  0  0  0  0
   -5.5490    1.7640    0.1690 C   0  0  0  0  0
   -5.3150    0.4100    0.0740 C   0  0  0  0  0
   -4.0040   -0.0580    0.0160 C   0  0  0  0  0
   -3.6930   -1.4920   -0.0850 C   0  0  0  0  0
   -4.5760   -2.3290   -0.1230 O   0  0  0  0  0
   -2.3880   -1.8450   -0.1400 N   0  0  0  0  0
    5.8600    2.1160   -2.5640 H   0  0  0  0  0
    5.3920    0.4110   -2.7690 H   0  0  0  0  0
    4.1930    1.6020   -2.2090 H   0  0  0  0  0
    6.6870    0.7330   -0.6790 H   0  0  0  0  0
    5.4880    1.9240   -0.1190 H   0  0  0  0  0
    4.8520   -0.9770   -0.8160 H   0  0  0  0  0
    4.5770   -1.2180    1.6700 H   0  0  0  0  0
    6.2570   -0.8830    1.1870 H   0  0  0  0  0
    5.5450    0.5360    2.9710 H   0  0  0  0  0
    3.1640    1.2760   -0.0410 H   0  0  0  0  0
    0.7700    0.4100    0.8430 H   0  0  0  0  0
    0.7340    0.5290   -0.9330 H   0  0  0  0  0
    0.1970   -1.8880   -1.0830 H   0  0  0  0  0
    0.2340   -2.0060    0.6930 H   0  0  0  0  0
   -2.3720    2.9280    0.1830 H   0  0  0  0  0
   -4.6910    3.7210    0.2830 H   0  0  0  0  0
   -6.5630    2.1300    0.2140 H   0  0  0  0  0
   -6.1420   -0.2850    0.0450 H   0  0  0  0  0
   -2.1450   -2.7810   -0.2080 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  2  1  0  0  0
  3 27  1  0  0  0
  4  3  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  4  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  3  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9  7  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 10  1  0  0  0
 12 11  2  0  0  0
 13 12  1  0  0  0
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 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 13  2  0  0  0
 19 21  1  0  0  0
 20 19  2  0  0  0
 21 11  1  0  0  0
 21 40  1  0  0  0
M  END
$$$$
