JNR
  CCTOOLS-1010250950

 38 38  0  0  1  0  0  0  0  0999 V2000
    5.7480    2.5610    0.6780 N   0  0  0  0  0
    3.3580   -0.0700   -0.1730 C   0  0  0  0  0
    1.9440   -0.2850    0.3710 C   0  0  0  0  0
    1.3280   -1.5220   -0.2850 C   0  0  0  0  0
   -0.0860   -1.7370    0.2590 C   0  0  0  0  0
   -2.0300   -0.3030    0.5820 C   0  0  0  0  0
   -2.8920    0.8260    0.1730 C   0  0  0  0  0
    5.2230    1.5070    0.1190 C   0  0  0  0  0
    5.9430    0.7870   -0.8040 N   0  0  0  0  0
    3.9490    1.1150    0.4540 N   0  0  0  0  0
   -0.9400   -0.6170   -0.1460 N   0  0  0  0  0
   -2.3040   -0.9490    1.5750 O   0  0  0  0  0
   -4.0210    1.1540    0.9250 C   0  0  0  0  0
   -4.8210    2.2100    0.5380 C   0  0  0  0  0
   -4.5060    2.9420   -0.5930 C   0  0  0  0  0
   -3.3880    2.6220   -1.3430 C   0  0  0  0  0
   -2.5760    1.5730   -0.9630 C   0  0  0  0  0
   -0.6470   -3.0220   -0.2920 C   0  0  0  0  0
   -0.0250   -4.1860   -0.0470 O   0  0  0  0  0
   -1.6560   -3.0050   -0.9560 O   0  0  0  0  0
    6.6470    2.8380    0.4420 H   0  0  0  0  0
    3.9700   -0.9440    0.0520 H   0  0  0  0  0
    3.3140    0.0740   -1.2530 H   0  0  0  0  0
    1.9880   -0.4290    1.4500 H   0  0  0  0  0
    1.3320    0.5890    0.1460 H   0  0  0  0  0
    1.2840   -1.3780   -1.3640 H   0  0  0  0  0
    1.9400   -2.3960   -0.0600 H   0  0  0  0  0
   -0.0520   -1.7920    1.3470 H   0  0  0  0  0
    6.8430    1.0640   -1.0410 H   0  0  0  0  0
    5.5530    0.0030   -1.2200 H   0  0  0  0  0
    3.4400    1.6220    1.1060 H   0  0  0  0  0
   -0.7210   -0.1020   -0.9380 H   0  0  0  0  0
   -4.2680    0.5830    1.8070 H   0  0  0  0  0
   -5.6950    2.4640    1.1190 H   0  0  0  0  0
   -5.1350    3.7670   -0.8910 H   0  0  0  0  0
   -3.1480    3.1980   -2.2240 H   0  0  0  0  0
   -1.7040    1.3240   -1.5490 H   0  0  0  0  0
   -0.4220   -4.9840   -0.4210 H   0  0  0  0  0
  1  8  2  0  0  0
  1 21  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  2  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  4  1  0  0  0
  5 18  1  0  0  0
  5 28  1  0  0  0
  6 12  2  0  0  0
  7  6  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10  2  1  0  0  0
 10 31  1  0  0  0
 11  6  1  0  0  0
 11  5  1  0  0  0
 11 32  1  0  0  0
 13  7  2  0  0  0
 13 33  1  0  0  0
 14 13  1  0  0  0
 14 34  1  0  0  0
 15 14  2  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17  7  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 19 38  1  0  0  0
 20 18  2  0  0  0
M  END
$$$$
