6WJ
  CCTOOLS-0808250955

 55 59  0  0  0  0  0  0  0  0999 V2000
    4.7460    2.4440   -0.9560 C   0  0  0  0  0
    3.1390    2.7240    0.5570 C   0  0  0  0  0
    3.4840    1.4870    0.9280 C   0  0  0  0  0
   -1.9180    0.1370    0.9550 C   0  0  0  0  0
   -2.9270   -0.6560    0.4490 C   0  0  0  0  0
   -2.6480   -1.9310   -0.0200 C   0  0  0  0  0
   -1.3600   -2.4270    0.0110 C   0  0  0  0  0
   -0.3340   -1.6440    0.5160 C   0  0  0  0  0
    1.9550   -1.3280    1.0590 C   0  0  0  0  0
    1.2900   -3.4480    0.0760 C   0  0  0  0  0
    1.6380   -3.3790   -1.4130 C   0  0  0  0  0
    1.8850   -4.7010   -2.1420 C   0  0  0  0  0
    3.0580   -3.7720   -1.8250 C   0  0  0  0  0
   -4.0410    2.5340   -2.7340 C   0  0  0  0  0
   -3.6940    2.8820   -0.1650 C   0  0  0  0  0
   -5.4260   -1.1850    0.3330 O   0  0  0  0  0
   -4.5790   -0.0460    0.3990 S   0  0  0  0  0
   -4.6760    0.9350    1.4220 O   0  0  0  0  0
   -4.7620    0.7570   -1.0380 N   0  0  0  0  0
   -3.9300    1.9250   -1.3350 C   0  0  0  0  0
   -2.7910    1.7450   -2.3400 C   0  0  0  0  0
   -0.6150   -0.3510    0.9920 C   0  0  0  0  0
    0.5000    0.4540    1.5220 C   0  0  0  0  0
    0.3110    1.5780    1.9460 O   0  0  0  0  0
    0.9740   -2.1040    0.5660 N   0  0  0  0  0
    3.0880   -1.7680    1.0850 O   0  0  0  0  0
    1.7370   -0.0880    1.5250 N   0  0  0  0  0
    2.8620    0.6920    2.0460 C   0  0  0  0  0
    3.8350    3.2060   -0.4540 N   0  0  0  0  0
    4.7920    0.9510   -0.1240 S   0  0  0  0  0
    5.6370    2.8130   -2.1150 C   0  0  0  0  0
    2.3550    3.2840    1.0460 H   0  0  0  0  0
   -2.1380    1.1320    1.3160 H   0  0  0  0  0
   -3.4470   -2.5420   -0.4140 H   0  0  0  0  0
   -1.1530   -3.4210   -0.3560 H   0  0  0  0  0
    0.4260   -4.0980    0.2170 H   0  0  0  0  0
    2.1390   -3.8460    0.6300 H   0  0  0  0  0
    1.1540   -2.5780   -1.9720 H   0  0  0  0  0
    1.7990   -5.6200   -1.5620 H   0  0  0  0  0
    1.5640   -4.7700   -3.1810 H   0  0  0  0  0
    3.5090   -3.2300   -2.6550 H   0  0  0  0  0
    3.7440   -4.0790   -1.0360 H   0  0  0  0  0
   -4.7330    2.0650   -3.4340 H   0  0  0  0  0
   -3.9460    3.6160   -2.8210 H   0  0  0  0  0
   -4.5910    3.4780    0.0040 H   0  0  0  0  0
   -3.4650    2.3090    0.7340 H   0  0  0  0  0
   -2.8580    3.5420   -0.3980 H   0  0  0  0  0
   -5.4200    0.4530   -1.6820 H   0  0  0  0  0
   -2.6600    0.7560   -2.7800 H   0  0  0  0  0
   -1.8730    2.3080   -2.1680 H   0  0  0  0  0
    3.6070    0.0170    2.4690 H   0  0  0  0  0
    2.5060    1.3710    2.8210 H   0  0  0  0  0
    6.5410    3.2930   -1.7390 H   0  0  0  0  0
    5.9070    1.9130   -2.6670 H   0  0  0  0  0
    5.1080    3.5000   -2.7750 H   0  0  0  0  0
  1 29  2  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2 29  1  0  0  0
  2 32  1  0  0  0
  3 28  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 22  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8 22  2  0  0  0
  8 25  1  0  0  0
  9 25  1  0  0  0
  9 26  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 20  1  0  0  0
 14 21  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 20  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  2  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 27 28  1  0  0  0
 28 51  1  0  0  0
 28 52  1  0  0  0
 31 53  1  0  0  0
 31 54  1  0  0  0
 31 55  1  0  0  0
M  END
$$$$
