978
  CCTOOLS-0410261002

 42 44  0  0  0  0  0  0  0  0999 V2000
   -1.2420    0.5520    0.2460 C   0  0  0  0  0
   -1.0520   -1.8450    0.3120 C   0  0  0  0  0
    0.3150   -1.7410    0.1560 C   0  0  0  0  0
    0.1250    0.6560    0.0890 C   0  0  0  0  0
    2.9620    0.6420    0.4490 C   0  0  0  0  0
    4.4250    0.6980    0.3690 C   0  0  0  0  0
   -5.5060   -0.0990   -0.0140 C   0  0  0  0  0
   -6.0460   -1.1710    0.6980 C   0  0  0  0  0
    8.7950   -0.1250   -0.4630 O   0  0  0  0  0
    7.6720   -0.5630   -0.6400 N   0  3  0  0  0
    7.5130   -1.6030   -1.2520 O   0  5  0  0  0
    6.5000    0.1700   -0.1090 C   0  0  0  0  0
    5.2210   -0.2070   -0.2360 O   0  0  0  0  0
    6.5440    1.3310    0.5800 C   0  0  0  0  0
    5.2200    1.6790    0.8890 C   0  0  0  0  0
    2.3490    1.5220    1.0250 O   0  0  0  0  0
    2.2950   -0.3850   -0.1150 N   0  0  0  0  0
    0.9080   -0.4900    0.0430 C   0  0  0  0  0
   -1.8350   -0.6990    0.3580 C   0  0  0  0  0
   -3.2220   -0.8040    0.5170 N   0  0  0  0  0
   -4.0400    0.0730   -0.0980 C   0  0  0  0  0
   -3.5720    1.0050   -0.7230 O   0  0  0  0  0
   -6.3550    0.8070   -0.6510 C   0  0  0  0  0
   -7.7220    0.6410   -0.5680 C   0  0  0  0  0
   -8.6410    1.6180   -1.2550 C   0  0  0  0  0
   -8.2520   -0.4210    0.1440 C   0  0  0  0  0
   -7.4150   -1.3260    0.7730 C   0  0  0  0  0
   -1.8500    1.4440    0.2860 H   0  0  0  0  0
   -1.5140   -2.8180    0.4000 H   0  0  0  0  0
    0.9240   -2.6320    0.1210 H   0  0  0  0  0
    0.5860    1.6290    0.0010 H   0  0  0  0  0
   -5.3940   -1.8790    1.1890 H   0  0  0  0  0
    7.4310    1.8870    0.8440 H   0  0  0  0  0
    4.8930    2.5530    1.4330 H   0  0  0  0  0
    2.7760   -1.0510   -0.6310 H   0  0  0  0  0
   -3.5950   -1.5080    1.0710 H   0  0  0  0  0
   -5.9430    1.6360   -1.2070 H   0  0  0  0  0
   -8.8440    1.2740   -2.2700 H   0  0  0  0  0
   -9.5780    1.6880   -0.7010 H   0  0  0  0  0
   -8.1670    2.5990   -1.2920 H   0  0  0  0  0
   -9.3230   -0.5460    0.2060 H   0  0  0  0  0
   -7.8340   -2.1550    1.3230 H   0  0  0  0  0
  1 19  2  0  0  0
  1  4  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  4 18  2  0  0  0
  4 31  1  0  0  0
  5 17  1  0  0  0
  5  6  1  0  0  0
  6 13  1  0  0  0
  7 21  1  0  0  0
  7 23  2  0  0  0
  8  7  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 10  1  0  0  0
 14 12  2  0  0  0
 14 33  1  0  0  0
 15  6  2  0  0  0
 15 14  1  0  0  0
 15 34  1  0  0  0
 16  5  2  0  0  0
 17 35  1  0  0  0
 18  3  1  0  0  0
 18 17  1  0  0  0
 19  2  1  0  0  0
 20 19  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 20  1  0  0  0
 23 37  1  0  0  0
 24 23  1  0  0  0
 24 25  1  0  0  0
 25 38  1  0  0  0
 25 39  1  0  0  0
 25 40  1  0  0  0
 26 24  2  0  0  0
 26 41  1  0  0  0
 27  8  2  0  0  0
 27 26  1  0  0  0
 27 42  1  0  0  0
M  CHG  1  10   1
M  CHG  1  11  -1
M  END
$$$$
