TEB
  CCTOOLS-1004241123

 48 50  0  0  1  0  0  0  0  0999 V2000
    3.3510    1.2210   -1.3790 C   0  0  0  0  0
    2.9750    2.1240   -2.0870 O   0  0  0  0  0
    3.5910    1.4630    0.0890 C   0  0  0  0  0
    5.0890    1.3680    0.3830 C   0  0  0  0  0
    5.3170    1.5970    1.7750 O   0  0  0  0  0
    5.8380    2.4200   -0.4370 C   0  0  0  0  0
    2.8420    0.4110    0.9090 C   0  0  0  0  0
    1.3250    0.5330    0.6800 C   0  0  0  0  0
    1.0220    1.6690   -0.2980 C   0  0  0  0  0
    3.1810   -0.9400    0.4400 N   0  0  0  0  0
    2.0160   -1.5750   -0.0210 C   0  0  0  0  0
    1.9950   -2.8900   -0.5410 C   0  0  0  0  0
    3.1500   -3.5670   -0.7140 O   0  0  0  0  0
    0.9340   -3.4120   -0.8340 O   0  0  0  0  0
    0.9220   -0.7970    0.0850 C   0  0  0  0  0
   -0.7110   -1.2550   -0.3920 S   0  0  0  0  0
   -1.5420   -1.1700    1.2140 C   0  0  0  0  0
   -2.9780   -1.7250    1.1980 C   0  0  0  0  0
   -3.4000   -0.3470    0.8820 N   0  0  0  0  0
   -2.1810    0.1990    1.5100 C   0  0  0  0  0
   -4.4920    0.2070    0.2530 C   0  0  0  0  0
   -5.4770   -0.4570   -0.2350 N   0  0  0  0  0
   -6.5700    0.2410   -0.8740 C   0  0  0  0  0
   -6.3450    1.7610   -0.8570 C   0  0  0  0  0
   -4.7480    1.9380    0.0040 S   0  0  0  0  0
    3.5110    0.2380   -1.7970 H   0  0  0  0  0
    3.2310    2.4560    0.3570 H   0  0  0  0  0
    5.4500    0.3740    0.1150 H   0  0  0  0  0
    5.0200    2.4640    2.0840 H   0  0  0  0  0
    5.4780    3.4130   -0.1690 H   0  0  0  0  0
    6.9060    2.3520   -0.2270 H   0  0  0  0  0
    5.6650    2.2450   -1.4980 H   0  0  0  0  0
    3.0790    0.5160    1.9670 H   0  0  0  0  0
    0.8100    0.6970    1.6270 H   0  0  0  0  0
   -0.0410    1.9090   -0.2590 H   0  0  0  0  0
    1.6030    2.5490   -0.0240 H   0  0  0  0  0
    1.2870    1.3590   -1.3090 H   0  0  0  0  0
    4.0680   -1.3310    0.4480 H   0  0  0  0  0
   -0.9320   -1.5570    2.0300 H   0  0  0  0  0
   -3.1650   -2.4370    0.3950 H   0  0  0  0  0
   -3.3230   -2.0790    2.1700 H   0  0  0  0  0
   -2.2930    0.4110    2.5730 H   0  0  0  0  0
   -1.7320    1.0230    0.9550 H   0  0  0  0  0
   -6.6540   -0.0960   -1.9070 H   0  0  0  0  0
   -7.4970    0.0110   -0.3490 H   0  0  0  0  0
   -6.2840    2.1520   -1.8720 H   0  0  0  0  0
   -7.1370    2.2610   -0.3000 H   0  0  0  0  0
    3.0350   -4.4570   -1.0740 H   0  0  0  0  0
  1 26  1  0  0  0
  2  1  2  0  0  0
  3  7  1  0  0  0
  3  1  1  0  0  0
  3 27  1  0  0  0
  4  3  1  0  0  0
  4 28  1  0  0  0
  5  4  1  0  0  0
  5 29  1  0  0  0
  6  4  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 10  1  0  0  0
  7 33  1  0  0  0
  8 15  1  0  0  0
  8  7  1  0  0  0
  8 34  1  0  0  0
  9  8  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 38  1  0  0  0
 11 10  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 48  1  0  0  0
 14 12  2  0  0  0
 15 11  2  0  0  0
 16 17  1  0  0  0
 16 15  1  0  0  0
 17 18  1  0  0  0
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 18 40  1  0  0  0
 18 41  1  0  0  0
 19 18  1  0  0  0
 19 21  1  0  0  0
 20 17  1  0  0  0
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 20 43  1  0  0  0
 21 25  1  0  0  0
 22 21  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 25 24  1  0  0  0
M  END
$$$$
