A1DOK
  CCTOOLS-0731261037

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2030   -1.9990    0.4190 O   0  0  0  0  0
   -2.5840   -0.9100    0.0210 C   0  0  0  0  0
   -3.5600   -0.8240   -0.9950 C   0  0  0  0  0
   -3.9480    0.4210   -1.4010 C   0  0  0  0  0
   -3.3570    1.5370   -0.7870 C   0  0  0  0  0
   -2.4600    1.3800    0.1460 N   0  0  0  0  0
   -2.0820    0.2220    0.5500 N   0  0  0  0  0
   -1.0730    0.1290    1.6090 C   0  0  0  0  0
    0.3020    0.0980    0.9920 C   0  0  0  0  0
    1.1070    1.1680    0.8070 C   0  0  0  0  0
    2.2560    0.7120    0.2210 N   0  0  0  0  0
    3.3980    1.3400   -0.1840 C   0  0  0  0  0
    4.4050    0.6400   -0.7460 C   0  0  0  0  0
    4.2910   -0.7490   -0.9220 C   0  0  0  0  0
    3.1590   -1.3880   -0.5220 C   0  0  0  0  0
    2.1160   -0.6430    0.0640 C   0  0  0  0  0
    0.9290   -0.9910    0.5420 N   0  0  0  0  0
   -3.9860   -1.7130   -1.4370 H   0  0  0  0  0
   -4.6920    0.5440   -2.1750 H   0  0  0  0  0
   -3.6460    2.5330   -1.0910 H   0  0  0  0  0
   -1.1570    0.9930    2.2670 H   0  0  0  0  0
   -1.2330   -0.7830    2.1840 H   0  0  0  0  0
    0.8840    2.1910    1.0720 H   0  0  0  0  0
    3.4950    2.4080   -0.0540 H   0  0  0  0  0
    5.3030    1.1500   -1.0630 H   0  0  0  0  0
    5.0980   -1.3070   -1.3730 H   0  0  0  0  0
    3.0600   -2.4550   -0.6520 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 17  2  0  0  0
M  END
$$$$
