IME
  CCTOOLS-0807261402

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.1750   -0.1470    0.1810 CU  0  0  0  0  0
   -1.5090   -1.5290   -1.0490 O   0  0  0  0  0
    1.9670    1.2630    1.5160 O   0  0  0  0  0
   -1.7560    2.3730   -2.6890 C   0  0  0  0  0
   -1.7360    1.5130   -1.6630 C   0  0  0  0  0
   -0.5240    2.9470   -2.8060 N   0  0  0  0  0
    0.2220    2.4000   -1.8220 C   0  0  0  0  0
   -0.4850    1.4990   -1.1040 N   0  5  0  0  0
   -2.7060    0.9950    3.2010 C   0  0  0  0  0
   -2.4100    0.7320    1.9190 C   0  0  0  0  0
   -1.5830    0.8380    3.9610 N   0  0  0  0  0
   -0.6160    0.4770    3.0920 C   0  0  0  0  0
   -1.0860    0.3990    1.8270 N   0  5  0  0  0
   -0.3160   -3.9830    1.9740 C   0  0  0  0  0
   -0.6250   -2.6920    1.8050 C   0  0  0  0  0
    0.9410   -4.1990    1.4910 N   0  0  0  0  0
    1.3640   -3.0010    1.0330 C   0  0  0  0  0
    0.4220   -2.0460    1.1970 N   0  5  0  0  0
    3.2540   -1.4280   -2.5970 C   0  0  0  0  0
    2.0540   -1.5940   -2.0220 C   0  0  0  0  0
    3.7810   -0.2360   -2.1950 N   0  0  0  0  0
    2.8610    0.2950   -1.3630 C   0  0  0  0  0
    1.7840   -0.5130   -1.2280 N   0  5  0  0  0
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    1.5940    1.9590    1.8660 H   0  0  0  0  0
   -2.5010    2.5560   -3.2370 H   0  0  0  0  0
   -2.4620    0.9850   -1.3790 H   0  0  0  0  0
    1.1240    2.6090   -1.6660 H   0  0  0  0  0
   -3.5520    1.2480    3.5270 H   0  0  0  0  0
   -3.0140    0.7710    1.1980 H   0  0  0  0  0
    0.2730    0.2960    3.3380 H   0  0  0  0  0
   -0.8730   -4.6340    2.3660 H   0  0  0  0  0
   -1.4410   -2.2910    2.0520 H   0  0  0  0  0
    2.2020   -2.8530    0.6360 H   0  0  0  0  0
    3.6680   -2.0340   -3.1870 H   0  0  0  0  0
    1.4900   -2.3380   -2.1370 H   0  0  0  0  0
    2.9560    1.1250   -0.9330 H   0  0  0  0  0
   -1.4540   -1.3830   -1.8970 H   0  0  0  0  0
    2.2930    0.7910    2.1610 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  8  1  0  0  0
  1 13  1  0  0  0
  1 18  1  0  0  0
  1 23  1  0  0  0
  2 24  1  0  0  0
  2 38  1  0  0  0
  3 25  1  0  0  0
  3 39  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  4 26  1  0  0  0
  5  8  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
  9 29  1  0  0  0
 10 13  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 14 32  1  0  0  0
 15 18  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
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 20 23  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 37  1  0  0  0
M  CHG  1   8  -1
M  CHG  1  13  -1
M  CHG  1  18  -1
M  CHG  1  23  -1
M  END
$$$$
