TDE
  CCTOOLS-0919241033

 59 59  0  0  1  0  0  0  0  0999 V2000
    0.3920   -0.0030   -4.8260 C   0  0  0  0  0
    1.1720   -0.2010   -5.7340 O   0  0  0  0  0
    0.1040   -1.0970   -3.8190 C   0  0  0  0  0
   -1.3140   -1.6200   -4.0580 C   0  0  0  0  0
   -2.3330   -0.7610   -3.3330 C   0  0  0  0  0
   -2.4440    0.6500   -3.8800 C   0  0  0  0  0
   -1.1600    1.4390   -3.6180 C   0  0  0  0  0
   -0.2160    1.1810   -4.7180 N   0  0  0  0  0
   -3.5400    1.3140   -3.2470 O   0  0  0  0  0
    0.2070   -0.5560   -2.4620 N   0  0  0  0  0
    1.4180   -0.3470   -1.9100 C   0  0  0  0  0
    1.5240    0.2080   -0.5130 C   0  0  0  0  0
    2.9020    0.3390   -0.1560 O   0  0  0  0  0
    3.3110    1.6470   -0.5590 C   0  0  0  0  0
    0.8300   -0.7380    0.4660 C   0  0  0  0  0
   -0.5460   -0.8690    0.1090 O   0  0  0  0  0
    0.9380   -0.1740    1.8840 C   0  0  0  0  0
    0.3090    1.1070    1.9350 O   0  0  0  0  0
    0.2440   -1.1220    2.8650 C   0  0  0  0  0
   -1.1330   -1.2520    2.5070 O   0  0  0  0  0
    0.3500   -0.5650    4.2610 C   0  0  0  0  0
   -0.7350   -0.2850    4.9390 C   0  0  0  0  0
   -0.6290    0.2700    6.3350 C   0  0  0  0  0
   -1.3020    1.6430    6.3900 C   0  0  0  0  0
   -1.3230   -0.6770    7.3160 C   0  0  0  0  0
    0.8450    0.4090    6.7180 C   0  0  0  0  0
    2.4230   -0.6060   -2.5370 O   0  0  0  0  0
    0.8200   -1.9090   -3.9450 H   0  0  0  0  0
   -1.5270   -1.6050   -5.1270 H   0  0  0  0  0
   -1.3840   -2.6450   -3.6940 H   0  0  0  0  0
   -3.3090   -1.2410   -3.4080 H   0  0  0  0  0
   -2.0560   -0.7050   -2.2810 H   0  0  0  0  0
   -2.6250    0.6050   -4.9540 H   0  0  0  0  0
   -1.3880    2.5040   -3.5740 H   0  0  0  0  0
   -0.7190    1.1170   -2.6750 H   0  0  0  0  0
   -0.0330    1.8770   -5.3690 H   0  0  0  0  0
   -3.5790    2.2060   -3.6200 H   0  0  0  0  0
   -0.5960   -0.3490   -1.9600 H   0  0  0  0  0
    1.0450    1.1860   -0.4740 H   0  0  0  0  0
    4.3610    1.7930   -0.3050 H   0  0  0  0  0
    3.1790    1.7530   -1.6360 H   0  0  0  0  0
    2.7060    2.3920   -0.0440 H   0  0  0  0  0
    1.3100   -1.7170    0.4270 H   0  0  0  0  0
   -0.9320    0.0160    0.1560 H   0  0  0  0  0
    1.9890   -0.0750    2.1570 H   0  0  0  0  0
   -0.6150    0.9750    1.6880 H   0  0  0  0  0
    0.7240   -2.1000    2.8260 H   0  0  0  0  0
   -1.5180   -0.3660    2.5540 H   0  0  0  0  0
    1.3210   -0.3980    4.7030 H   0  0  0  0  0
   -1.7060   -0.4530    4.4970 H   0  0  0  0  0
   -1.2250    2.0450    7.4000 H   0  0  0  0  0
   -0.8080    2.3180    5.6920 H   0  0  0  0  0
   -2.3530    1.5430    6.1170 H   0  0  0  0  0
   -2.3730   -0.7760    7.0430 H   0  0  0  0  0
   -0.8430   -1.6550    7.2770 H   0  0  0  0  0
   -1.2460   -0.2750    8.3260 H   0  0  0  0  0
    1.3390    1.0840    6.0200 H   0  0  0  0  0
    0.9220    0.8120    7.7280 H   0  0  0  0  0
    1.3250   -0.5680    6.6790 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  8  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 27  2  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 43  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 19 47  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  1  0  0  0
 23 25  1  0  0  0
 23 26  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 25 56  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 26 59  1  0  0  0
M  END
$$$$
