VPT
  CCTOOLS-0919241027

 55 58  0  0  1  0  0  0  0  0999 V2000
    5.6830    3.1320   -0.4150 C   0  0  0  0  0
    3.7480    1.9010   -0.2670 C   0  0  0  0  0
   -6.1880    5.6850   -1.0870 C   0  0  0  0  0
   -5.9430    4.7580   -0.4100 C   0  0  0  0  0
   -5.6350    3.5950    0.4380 C   0  0  0  0  0
   -4.8900    2.6380   -0.3180 O   0  0  0  0  0
   -4.5230    1.4970    0.3220 C   0  0  0  0  0
   -3.7990    0.5270   -0.3520 C   0  0  0  0  0
   -4.8690    1.3050    1.6530 C   0  0  0  0  0
   -4.4980    0.1460    2.3090 C   0  0  0  0  0
   -3.7810   -0.8280    1.6460 C   0  0  0  0  0
   -3.4240   -0.6430    0.3100 C   0  0  0  0  0
   -2.6510   -1.6830   -0.4030 C   0  0  0  0  0
   -2.3420   -1.5190   -1.5670 O   0  0  0  0  0
   -2.2900   -2.8120    0.2380 N   0  0  0  0  0
   -1.4250   -3.9770   -0.5600 S   0  0  0  0  0
   -1.1760   -5.0090    0.3840 O   0  0  0  0  0
   -2.0930   -4.1980   -1.7950 O   0  0  0  0  0
   -0.0710   -3.3740   -0.9060 O   0  0  0  0  0
    0.8170   -3.2630    0.2070 C   0  0  0  0  0
    2.1400   -2.6480   -0.2550 C   0  0  0  0  0
    1.9290   -1.2870   -0.6660 O   0  0  0  0  0
    3.1430   -2.6230    0.9150 C   0  0  0  0  0
    4.3070   -3.3860    0.5920 O   0  0  0  0  0
    3.5030   -1.1250    1.0730 C   0  0  0  0  0
    4.9000   -0.9610    1.3250 O   0  0  0  0  0
    3.1200   -0.5510   -0.3140 C   0  0  0  0  0
    2.8310    0.8820   -0.2170 N   0  0  0  0  0
    1.6000    1.4480   -0.0590 C   0  0  0  0  0
    1.7100    2.7440   -0.0100 N   0  0  0  0  0
    3.0150    3.0900   -0.1230 C   0  0  0  0  0
    5.0690    1.9690   -0.4050 N   0  0  0  0  0
    5.0360    4.2770   -0.2870 N   0  0  0  0  0
    3.7160    4.3080   -0.1400 C   0  0  0  0  0
    3.0470    5.5120   -0.0030 N   0  0  0  0  0
    6.7570    3.1520   -0.5280 H   0  0  0  0  0
   -6.4070    6.5150   -1.6920 H   0  0  0  0  0
   -5.0470    3.9170    1.2970 H   0  0  0  0  0
   -6.5640    3.1410    0.7830 H   0  0  0  0  0
   -3.5260    0.6760   -1.3860 H   0  0  0  0  0
   -5.4300    2.0650    2.1770 H   0  0  0  0  0
   -4.7700    0.0040    3.3450 H   0  0  0  0  0
   -3.4930   -1.7320    2.1620 H   0  0  0  0  0
   -2.5380   -2.9420    1.1670 H   0  0  0  0  0
    0.3670   -2.6260    0.9690 H   0  0  0  0  0
    1.0030   -4.2530    0.6240 H   0  0  0  0  0
    2.5480   -3.2270   -1.0830 H   0  0  0  0  0
    2.6770   -3.0010    1.8250 H   0  0  0  0  0
    4.9970   -3.3570    1.2700 H   0  0  0  0  0
    2.9110   -0.6640    1.8630 H   0  0  0  0  0
    5.2060   -1.3830    2.1400 H   0  0  0  0  0
    3.9130   -0.7350   -1.0380 H   0  0  0  0  0
    0.6720    0.9010    0.0140 H   0  0  0  0  0
    2.0840    5.5220    0.1070 H   0  0  0  0  0
    3.5420    6.3460   -0.0160 H   0  0  0  0  0
  1 32  2  0  0  0
  1 36  1  0  0  0
  2 28  1  0  0  0
  2 32  1  0  0  0
  3 37  1  0  0  0
  4  3  3  0  0  0
  5  6  1  0  0  0
  5  4  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8 12  2  0  0  0
  8 40  1  0  0  0
  9  7  2  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 15 13  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 19  1  0  0  0
 16 17  2  0  0  0
 18 16  2  0  0  0
 20 21  1  0  0  0
 20 19  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 23 25  1  0  0  0
 23 21  1  0  0  0
 23 48  1  0  0  0
 24 23  1  0  0  0
 24 49  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 26 51  1  0  0  0
 27 22  1  0  0  0
 27 52  1  0  0  0
 28 27  1  0  0  0
 29 28  1  0  0  0
 29 53  1  0  0  0
 30 31  1  0  0  0
 30 29  2  0  0  0
 31  2  2  0  0  0
 33  1  1  0  0  0
 34 31  1  0  0  0
 34 33  2  0  0  0
 35 34  1  0  0  0
 35 54  1  0  0  0
 35 55  1  0  0  0
M  END
$$$$
