A1ENI
  CCTOOLS-0313261112

 45 48  0  0  0  0  0  0  0  0999 V2000
   -3.7920   -0.5140   -1.4880 C   0  0  0  0  0
    4.7010   -0.6100    0.4970 C   0  0  0  0  0
    6.6900   -3.1590    0.1720 N   0  0  0  0  0
    6.7640   -1.9380    0.9840 C   0  0  0  0  0
    6.0480   -0.8180    0.2740 C   0  0  0  0  0
    6.7400   -0.0020   -0.6010 C   0  0  0  0  0
    6.0890    1.0280   -1.2570 C   0  0  0  0  0
    4.7430    1.2450   -1.0410 C   0  0  0  0  0
    4.0390    0.4210   -0.1650 C   0  0  0  0  0
    2.5920    0.6500    0.0720 C   0  0  0  0  0
    1.8060    0.0090    0.9550 N   0  0  0  0  0
    0.6150    0.4860    0.8730 N   0  0  0  0  0
    1.7910    1.5580   -0.5600 C   0  0  0  0  0
    0.5610    1.4120   -0.0190 N   0  0  0  0  0
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   -1.7390    1.2310   -0.7720 C   0  0  0  0  0
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   -2.9590    0.0430   -2.4530 C   0  0  0  0  0
   -4.7900   -1.3340   -1.9180 O   0  0  0  0  0
   -5.3880   -2.2120   -0.9570 C   0  0  0  0  0
   -5.5350   -1.3820    0.3810 B   0  0  0  0  0
   -6.7680   -1.2920    1.0780 O   0  0  0  0  0
   -4.3540   -0.7300    0.8460 O   0  0  0  0  0
   -3.5930   -0.2060   -0.1510 C   0  0  0  0  0
   -2.5620    0.6770    0.2110 C   0  0  0  0  0
   -2.3480    1.0190    1.6290 C   0  0  0  0  0
   -1.5170    0.2740    2.3840 O   0  0  0  0  0
   -2.9220    1.9730    2.1170 O   0  0  0  0  0
    4.1610   -1.2480    1.1810 H   0  0  0  0  0
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    6.2920   -2.1150    1.9510 H   0  0  0  0  0
    7.8080   -1.6640    1.1350 H   0  0  0  0  0
    7.7930   -0.1680   -0.7730 H   0  0  0  0  0
    6.6350    1.6630   -1.9390 H   0  0  0  0  0
    4.2360    2.0490   -1.5540 H   0  0  0  0  0
    2.0830    2.2540   -1.3320 H   0  0  0  0  0
   -0.9510    2.7830    0.4630 H   0  0  0  0  0
   -0.4000    2.8290   -1.2290 H   0  0  0  0  0
   -1.3040    1.3320   -2.8570 H   0  0  0  0  0
   -3.1090   -0.2040   -3.4930 H   0  0  0  0  0
   -6.3690   -2.5350   -1.3060 H   0  0  0  0  0
   -4.7460   -3.0780   -0.7920 H   0  0  0  0  0
   -6.7280   -0.7560    1.8810 H   0  0  0  0  0
   -1.4090    0.5370    3.3080 H   0  0  0  0  0
  1 24  1  0  0  0
  2  5  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
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 26 28  2  0  0  0
 26 27  1  0  0  0
 27 45  1  0  0  0
M  END
$$$$
