A1DEQ
  CCTOOLS-0710261011

 52 56  0  0  1  0  0  0  0  0999 V2000
    4.6550   -1.0050   -0.0640 N   0  0  0  0  0
   -5.9820    0.7450   -0.2320 N   0  0  0  0  0
   -9.0320   -0.8120   -0.3730 C   0  0  0  0  0
    7.4290    1.3850   -0.2840 C   0  0  0  0  0
    5.2670   -2.1860   -0.0870 C   0  0  0  0  0
    6.6280   -2.2510   -0.1760 C   0  0  0  0  0
    7.3620   -1.0540   -0.2430 C   0  0  0  0  0
   -7.2850    0.0770   -0.2870 C   0  0  0  0  0
   -2.1060   -0.2990    1.6440 C   0  0  0  0  0
   -1.2560    0.4230   -0.5250 C   0  0  0  0  0
    3.2680    1.3330   -0.0060 C   0  0  0  0  0
    6.6940    0.1190   -0.2170 N   0  0  0  0  0
    8.5790   -1.0750   -0.3240 O   0  0  0  0  0
    5.3360    0.1220   -0.1260 C   0  0  0  0  0
    4.6660    1.3170   -0.0990 N   0  0  0  0  0
    2.4320    0.2070    0.0670 C   0  0  0  0  0
    1.1550    0.6420    0.1460 C   0  0  0  0  0
    1.1750    1.9920    0.1240 N   0  0  0  0  0
    2.5110    2.4040    0.0340 N   0  0  0  0  0
   -0.0740   -0.2250    0.2400 C   0  0  0  0  0
   -0.5680   -0.3060    1.7000 C   0  0  0  0  0
   -2.4940   -0.2140    0.1540 C   0  0  0  0  0
   -3.6610    0.6320   -0.0210 O   0  0  0  0  0
   -4.8580    0.0180   -0.0720 C   0  0  0  0  0
   -4.9260   -1.1910    0.0280 O   0  0  0  0  0
   -8.6930    0.6970   -0.4630 C   0  0  0  0  0
   -7.8110   -0.9550   -1.3150 C   0  0  0  0  0
   -7.9770   -0.8300    0.7540 C   0  0  0  0  0
   -5.9280    1.7100   -0.3110 H   0  0  0  0  0
  -10.0050   -1.3010   -0.4100 H   0  0  0  0  0
    8.4980    1.1820   -0.3520 H   0  0  0  0  0
    7.1090    1.9440   -1.1630 H   0  0  0  0  0
    7.2270    1.9710    0.6130 H   0  0  0  0  0
    4.6870   -3.0950   -0.0350 H   0  0  0  0  0
    7.1320   -3.2060   -0.1950 H   0  0  0  0  0
   -2.4990   -1.2170    2.0810 H   0  0  0  0  0
   -2.4950    0.5660    2.1810 H   0  0  0  0  0
   -1.2560    1.5050   -0.3910 H   0  0  0  0  0
   -1.2210    0.1670   -1.5840 H   0  0  0  0  0
    5.1590    2.1510   -0.1450 H   0  0  0  0  0
    2.7540   -0.8240    0.0610 H   0  0  0  0  0
    0.4000    2.5740    0.1660 H   0  0  0  0  0
    0.1330   -1.2210   -0.1500 H   0  0  0  0  0
   -0.2110    0.5570    2.2630 H   0  0  0  0  0
   -0.2150   -1.2270    2.1630 H   0  0  0  0  0
   -2.6810   -1.2090   -0.2510 H   0  0  0  0  0
   -8.8770    1.1530   -1.4360 H   0  0  0  0  0
   -9.0400    1.2970    0.3780 H   0  0  0  0  0
   -7.3180   -1.9270   -1.2850 H   0  0  0  0  0
   -7.9580   -0.5670   -2.3230 H   0  0  0  0  0
   -8.2780   -0.3270    1.6730 H   0  0  0  0  0
   -7.4940   -1.7940    0.9170 H   0  0  0  0  0
  1  5  1  0  0  0
  2 29  1  0  0  0
  3 28  1  0  0  0
  3 26  1  0  0  0
  3 30  1  0  0  0
  4 12  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 34  1  0  0  0
  6  5  2  0  0  0
  6 35  1  0  0  0
  7  6  1  0  0  0
  8 26  1  0  0  0
  8  2  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 22  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 16  1  0  0  0
 12  7  1  0  0  0
 12 14  1  0  0  0
 13  7  2  0  0  0
 14  1  2  0  0  0
 15 14  1  0  0  0
 15 11  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 20  1  0  0  0
 18 17  1  0  0  0
 18 42  1  0  0  0
 19 11  2  0  0  0
 19 18  1  0  0  0
 20 10  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21  9  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22  9  1  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 24  2  1  0  0  0
 24 25  2  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27  3  1  0  0  0
 27  8  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 28  8  1  0  0  0
 28 51  1  0  0  0
 28 52  1  0  0  0
M  END
$$$$
