VDW
  CCTOOLS-0919250949

 38 37  0  0  1  0  0  0  0  0999 V2000
   -4.7510    2.2260   -0.1700 N   0  3  0  0  0
   -4.7830    0.7750   -0.3960 C   0  0  0  0  0
   -5.9920    0.1870    0.2830 C   0  0  0  0  0
   -6.5420    0.7960    1.1710 O   0  0  0  0  0
   -6.4590   -1.0120   -0.0970 O   0  0  0  0  0
   -3.5150    0.1410    0.1810 C   0  0  0  0  0
   -2.2960    0.6450   -0.5940 C   0  0  0  0  0
   -1.0470    0.0210   -0.0250 C   0  0  0  0  0
   -1.1250   -0.7510    0.9070 O   0  0  0  0  0
    0.1560    0.3200   -0.5530 N   0  0  0  0  0
    1.3700   -0.2870   -0.0010 C   0  0  0  0  0
    2.5520    0.6020   -0.2900 C   0  0  0  0  0
    2.3960    1.6400   -0.8980 O   0  0  0  0  0
    1.5930   -1.6570   -0.6430 C   0  0  0  0  0
    0.1690   -2.7270   -0.2950 S   0  0  0  0  0
    3.7830    0.2430    0.1260 N   0  0  0  0  0
    4.9320    1.1070   -0.1550 C   0  0  0  0  0
    6.1810    0.4830    0.4130 C   0  0  0  0  0
    6.1170   -0.5750    0.9940 O   0  0  0  0  0
    7.3630    1.1020    0.2750 O   0  0  0  0  0
   -3.9410    2.6200   -0.6260 H   0  0  0  0  0
   -5.5870    2.6440   -0.5510 H   0  0  0  0  0
   -4.7030    2.4110    0.8200 H   0  0  0  0  0
   -4.8340    0.5750   -1.4670 H   0  0  0  0  0
   -7.2380   -1.3480    0.3680 H   0  0  0  0  0
   -3.4180    0.4160    1.2310 H   0  0  0  0  0
   -3.5790   -0.9430    0.0930 H   0  0  0  0  0
   -2.3930    0.3710   -1.6440 H   0  0  0  0  0
   -2.2320    1.7300   -0.5060 H   0  0  0  0  0
    0.2190    0.9370   -1.2990 H   0  0  0  0  0
    1.2590   -0.4040    1.0770 H   0  0  0  0  0
    1.7040   -1.5390   -1.7210 H   0  0  0  0  0
    2.4960   -2.1090   -0.2320 H   0  0  0  0  0
    0.4980   -3.8770   -0.9090 H   0  0  0  0  0
    3.9070   -0.5870    0.6130 H   0  0  0  0  0
    5.0430    1.2250   -1.2330 H   0  0  0  0  0
    4.7730    2.0830    0.3030 H   0  0  0  0  0
    8.1360    0.6630    0.6560 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  6  1  0  0  0
  2 24  1  0  0  0
  3  2  1  0  0  0
  4  3  2  0  0  0
  5  3  1  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7  6  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
 10  8  1  0  0  0
 10 30  1  0  0  0
 11 10  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 14 11  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 14  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 20 38  1  0  0  0
M  CHG  1   1   1
M  END
$$$$
