VL2
  CCTOOLS-0919241044

 64 71  0  0  0  0  0  0  0  0999 V2000
   15.6850    0.1810   18.1810 O   0  0  0  0  0
   19.9930    7.2610   12.3290 C   0  0  0  0  0
   20.4690    7.6950   10.9760 C   0  0  0  0  0
   21.5020    6.9960   10.0730 C   0  0  0  0  0
   19.8120    8.9770   10.6750 C   0  0  0  0  0
   20.0360    9.7700    9.3590 C   0  0  0  0  0
   18.9260    9.3620   11.8120 C   0  0  0  0  0
   18.0320   10.5880   11.8290 C   0  0  0  0  0
   20.5110    6.0060   12.9730 C   0  0  0  0  0
   19.0020    8.2540   12.8300 C   0  0  0  0  0
   18.3150    8.2490   14.2020 C   0  0  0  0  0
   18.3480    7.4780   11.0710 IR  0  0  0  0  0
   18.4970    5.8510    9.3510 CL  0  0  0  0  0
   16.7410    8.0120   10.0750 N   0  3  0  0  0
   16.6340    8.9740    9.1780 C   0  0  0  0  0
   15.4990    9.3590    8.5070 C   0  0  0  0  0
   15.4720    7.3070   10.2650 C   0  0  0  0  0
   13.0580    9.0100    8.0000 N   0  3  0  0  0
   12.8940   10.0960    7.4490 O   0  5  0  0  0
   12.1030    7.9000    8.1140 O   0  0  0  0  0
   14.3270    8.7030    8.6990 C   0  0  0  0  0
   14.2330    7.6740    9.5380 C   0  0  0  0  0
   15.1350    0.0280   16.8330 S   0  0  0  0  0
   15.5820    1.3910   15.9890 C   0  0  0  0  0
   13.7270    0.0080   16.7690 O   0  0  0  0  0
   14.7150    2.5230   15.7400 C   0  0  0  0  0
   15.1560    3.6270   15.0990 C   0  0  0  0  0
   16.9670    1.5640   15.5150 C   0  0  0  0  0
   17.3220    2.7200   14.8190 C   0  0  0  0  0
   16.9700    4.8450   12.5330 C   0  0  0  0  0
   16.8440    4.9300   13.9080 C   0  0  0  0  0
   15.7240   -1.1600   16.1090 N   0  0  0  0  0
   16.4320    3.7450   14.6010 C   0  0  0  0  0
   16.9020    6.1200   11.7370 N   0  0  0  0  0
   15.6290    6.2480   11.2390 C   0  0  0  0  0
   14.7040    5.5330   11.5790 O   0  0  0  0  0
   21.6270    7.5720    9.1440 H   0  0  0  0  0
   22.4660    6.9340   10.5990 H   0  0  0  0  0
   21.1510    5.9820    9.8310 H   0  0  0  0  0
   19.4340   10.6900    9.3780 H   0  0  0  0  0
   21.1010   10.0310    9.2650 H   0  0  0  0  0
   19.7330    9.1510    8.5020 H   0  0  0  0  0
   17.4890   10.6330   12.7840 H   0  0  0  0  0
   18.6480   11.4920   11.7150 H   0  0  0  0  0
   17.3120   10.5280   11.0000 H   0  0  0  0  0
   20.0350    5.8740   13.9560 H   0  0  0  0  0
   20.2770    5.1420   12.3330 H   0  0  0  0  0
   21.6010    6.0830   13.1010 H   0  0  0  0  0
   17.6360    9.1110   14.2760 H   0  0  0  0  0
   17.7400    7.3190   14.3210 H   0  0  0  0  0
   19.0760    8.3130   14.9930 H   0  0  0  0  0
   17.5380    9.5180    8.9460 H   0  0  0  0  0
   15.5400   10.1910    7.8200 H   0  0  0  0  0
   13.3070    7.1370    9.6810 H   0  0  0  0  0
   13.6890    2.4840   16.0750 H   0  0  0  0  0
   14.4750    4.4550   14.9720 H   0  0  0  0  0
   17.7050    0.7990   15.7060 H   0  0  0  0  0
   18.3290    2.8130   14.4390 H   0  0  0  0  0
   17.9440    4.3790   12.3220 H   0  0  0  0  0
   16.1640    4.1900   12.1710 H   0  0  0  0  0
   17.8230    5.2270   14.3130 H   0  0  0  0  0
   16.1040    5.7150   14.1250 H   0  0  0  0  0
   15.3220   -1.2270   15.1960 H   0  0  0  0  0
   16.7140   -1.0440   16.0300 H   0  0  0  0  0
  1 23  2  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 12  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 12  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 12  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 49  1  0  0  0
 11 50  1  0  0  0
 11 51  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 34  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 15 52  1  0  0  0
 16 21  2  0  0  0
 16 53  1  0  0  0
 17 22  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 20  2  0  0  0
 18 21  1  0  0  0
 21 22  1  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 25  2  0  0  0
 23 32  1  0  0  0
 24 26  2  0  0  0
 24 28  1  0  0  0
 26 27  1  0  0  0
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 27 33  2  0  0  0
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 28 29  2  0  0  0
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 29 58  1  0  0  0
 30 31  1  0  0  0
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 30 59  1  0  0  0
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 31 33  1  0  0  0
 31 61  1  0  0  0
 31 62  1  0  0  0
 32 63  1  0  0  0
 32 64  1  0  0  0
 34 35  1  0  0  0
 35 36  2  0  0  0
M  CHG  1  14   1
M  CHG  1  18   1
M  CHG  1  19  -1
M  END
$$$$
