PNA
  CCTOOLS-0919241033

 36 37  0  0  1  0  0  0  0  0999 V2000
   -1.1740   -1.0940    0.5250 C   0  0  0  0  0
   -2.6270   -1.5530    0.3840 C   0  0  0  0  0
   -3.3460   -0.6360   -0.6120 C   0  0  0  0  0
   -3.1620    0.8170   -0.1600 C   0  0  0  0  0
   -1.6680    1.0970    0.0210 C   0  0  0  0  0
   -1.4710    2.5560    0.4380 C   0  0  0  0  0
    0.7760   -0.8540   -0.5490 C   0  0  0  0  0
    1.2620   -0.7120    0.7430 C   0  0  0  0  0
    2.5980   -0.4240    0.9480 C   0  0  0  0  0
    3.4490   -0.2780   -0.1310 C   0  0  0  0  0
    2.9670   -0.4200   -1.4190 C   0  0  0  0  0
    1.6330   -0.7130   -1.6300 C   0  0  0  0  0
    4.8790    0.0310    0.0920 N   0  3  0  0  0
   -0.5370   -1.1380   -0.7540 O   0  0  0  0  0
   -3.2760   -1.4840    1.6550 O   0  0  0  0  0
   -4.7380   -0.9590   -0.6420 O   0  0  0  0  0
   -3.6970    1.6970   -1.1500 O   0  0  0  0  0
   -1.1350    0.2400    1.0280 O   0  0  0  0  0
   -0.0740    2.8520    0.4900 O   0  0  0  0  0
    5.3050    0.1570    1.2260 O   0  0  0  0  0
    5.6300    0.1600   -0.8580 O   0  5  0  0  0
   -0.6500   -1.7570    1.2130 H   0  0  0  0  0
   -2.6520   -2.5800    0.0180 H   0  0  0  0  0
   -2.9190   -0.7680   -1.6060 H   0  0  0  0  0
   -3.6810    0.9730    0.7860 H   0  0  0  0  0
   -1.1490    0.9160   -0.9210 H   0  0  0  0  0
   -1.9130    2.7160    1.4210 H   0  0  0  0  0
   -1.9540    3.2100   -0.2890 H   0  0  0  0  0
    0.5980   -0.8250    1.5860 H   0  0  0  0  0
    2.9770   -0.3130    1.9540 H   0  0  0  0  0
    3.6340   -0.3050   -2.2610 H   0  0  0  0  0
    1.2570   -0.8240   -2.6360 H   0  0  0  0  0
   -2.7880   -2.0690    2.2500 H   0  0  0  0  0
   -4.8050   -1.8830   -0.9190 H   0  0  0  0  0
   -4.6360    1.4820   -1.2370 H   0  0  0  0  0
    0.0060    3.7780    0.7560 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 18  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 26  1  0  0  0
  6 19  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 20  2  0  0  0
 13 21  1  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 19 36  1  0  0  0
M  CHG  1  13   1
M  CHG  1  21  -1
M  END
$$$$
