A1EQ9
  CCTOOLS-0206261215

 75 80  0  0  1  0  0  0  0  0999 V2000
   -0.1240    2.0050    1.6520 C   0  0  0  0  0
    1.9870    0.8990    0.9100 C   0  0  0  0  0
    4.1160    0.1790    0.2630 C   0  0  0  0  0
    5.2000   -0.5550   -0.1670 C   0  0  0  0  0
    6.4620    0.0450   -0.2690 C   0  0  0  0  0
    6.6080    1.3560    0.0620 C   0  0  0  0  0
  -11.4540    2.7650   -1.4040 C   0  0  0  0  0
   -8.5560    0.3880   -1.7570 C   0  0  0  0  0
   -1.1690   -2.9070    0.5540 C   0  0  0  0  0
   -0.6720    2.7810    0.4530 C   0  0  0  0  0
    7.9360    2.0620    0.0000 C   0  0  0  0  0
    8.9070   -0.0270   -0.5260 C   0  0  0  0  0
    7.6210   -0.7870   -0.7580 C   0  0  0  0  0
    7.4550   -1.0680   -2.2530 C   0  0  0  0  0
    8.6320   -1.9130   -2.7460 C   0  0  0  0  0
    5.4790    2.0870    0.4870 C   0  0  0  0  0
    2.7020   -0.2220    0.4560 C   0  0  0  0  0
    0.7930   -1.5350    0.5090 C   0  0  0  0  0
    0.1610   -2.7770    0.3080 C   0  0  0  0  0
   -1.9320   -1.8180    0.9880 C   0  0  0  0  0
   -4.1090   -1.3690    0.3710 C   0  0  0  0  0
   -6.3570   -0.7240   -0.3110 C   0  0  0  0  0
   -7.7710   -0.8890    0.1840 C   0  0  0  0  0
  -10.1830   -0.5070   -0.0460 C   0  0  0  0  0
    2.0960   -1.3850    0.2730 N   0  0  0  0  0
   -5.4350   -1.3870    0.6140 N   0  0  0  0  0
   -8.7960   -0.3580   -0.5120 N   0  0  0  0  0
    8.8850    1.2990   -0.7910 O   0  0  0  0  0
    9.9040   -0.5770   -0.1230 O   0  0  0  0  0
    7.6580   -2.0230   -0.0410 O   0  0  0  0  0
    5.5970    3.2680    0.7690 O   0  0  0  0  0
   -3.2610   -1.9790    1.2220 O   0  0  0  0  0
   -3.6790   -0.8030   -0.6140 O   0  0  0  0  0
   -7.9860   -1.5010    1.2090 O   0  0  0  0  0
    0.6540    0.8090    1.1640 C   0  0  0  0  0
    2.9720    2.0350    1.0070 C   0  0  0  0  0
    4.2720    1.4970    0.5850 N   0  0  0  0  0
  -10.8390    0.8770   -0.0190 C   0  0  0  0  0
  -10.6910    1.5110   -1.3350 N   0  0  0  0  0
   -9.2770    1.7370   -1.6620 C   0  0  0  0  0
   -1.3520   -0.5980    1.1990 C   0  0  0  0  0
    0.0200   -0.4330    0.9580 C   0  0  0  0  0
    0.5320    2.6510    2.2350 H   0  0  0  0  0
   -0.9520    1.6690    2.2770 H   0  0  0  0  0
    5.0770   -1.5960   -0.4260 H   0  0  0  0  0
  -11.0910    3.4540   -0.6410 H   0  0  0  0  0
  -11.3270    3.2140   -2.3890 H   0  0  0  0  0
  -12.5100    2.5570   -1.2330 H   0  0  0  0  0
   -7.4860    0.5520   -1.8850 H   0  0  0  0  0
   -8.9440   -0.1760   -2.6050 H   0  0  0  0  0
   -1.6480   -3.8620    0.3980 H   0  0  0  0  0
   -1.2340    3.6450    0.8060 H   0  0  0  0  0
    0.1560    3.1160   -0.1720 H   0  0  0  0  0
   -1.3270    2.1340   -0.1300 H   0  0  0  0  0
    7.8000    3.0440   -0.4520 H   0  0  0  0  0
    8.3260    2.1820    1.0110 H   0  0  0  0  0
    6.5240   -1.6100   -2.4190 H   0  0  0  0  0
    7.4300   -0.1250   -2.7990 H   0  0  0  0  0
    8.6570   -2.8550   -2.2000 H   0  0  0  0  0
    8.5140   -2.1130   -3.8110 H   0  0  0  0  0
    9.5630   -1.3710   -2.5790 H   0  0  0  0  0
    0.7320   -3.6250   -0.0410 H   0  0  0  0  0
   -6.2650   -1.1720   -1.3010 H   0  0  0  0  0
   -6.1140    0.3370   -0.3690 H   0  0  0  0  0
  -10.7290   -1.1590   -0.7270 H   0  0  0  0  0
  -10.1880   -0.9350    0.9570 H   0  0  0  0  0
   -5.7780   -1.8380    1.4000 H   0  0  0  0  0
    8.3800   -2.6090   -0.3040 H   0  0  0  0  0
    2.6710    2.8480    0.3450 H   0  0  0  0  0
    3.0310    2.3920    2.0350 H   0  0  0  0  0
  -11.8980    0.7730    0.2180 H   0  0  0  0  0
  -10.3560    1.4940    0.7390 H   0  0  0  0  0
   -8.8150    2.3420   -0.8820 H   0  0  0  0  0
   -9.2030    2.2570   -2.6170 H   0  0  0  0  0
   -1.9490    0.2370    1.5340 H   0  0  0  0  0
  1 35  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2 17  2  0  0  0
  2 36  1  0  0  0
  3 37  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 45  1  0  0  0
  5 13  1  0  0  0
  6  5  2  0  0  0
  6 11  1  0  0  0
  7 46  1  0  0  0
  7 47  1  0  0  0
  7 48  1  0  0  0
  8 40  1  0  0  0
  8 49  1  0  0  0
  8 50  1  0  0  0
  9 19  2  0  0  0
  9 51  1  0  0  0
 10  1  1  0  0  0
 10 52  1  0  0  0
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 10 54  1  0  0  0
 11 28  1  0  0  0
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 12 29  2  0  0  0
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 22 26  1  0  0  0
 22 63  1  0  0  0
 22 64  1  0  0  0
 23 22  1  0  0  0
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 24 27  1  0  0  0
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 31 16  2  0  0  0
 32 20  1  0  0  0
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 34 23  2  0  0  0
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 36 37  1  0  0  0
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 36 70  1  0  0  0
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 41 42  1  0  0  0
 41 75  1  0  0  0
 42 35  2  0  0  0
 42 18  1  0  0  0
M  END
$$$$
