TMV
  CCTOOLS-0807261403

 48 49  0  0  0  0  0  0  0  0999 V2000
    4.4580    0.4140   -2.8430 O   0  0  0  0  0
    5.0970    1.4720   -1.9940 P   0  0  0  0  0
    6.6440    1.3950   -2.1660 O   0  0  0  0  0
    4.6420    2.8900   -2.2010 O   0  5  0  0  0
    2.7090    3.4250   -2.4760 V   0  0  0  0  0
    2.6900    4.0350   -0.9530 O   0  5  0  0  0
    3.2590    4.3880   -3.6840 O   0  5  0  0  0
    0.9460    4.3390   -2.7170 O   0  5  0  0  0
    2.0050    2.0130   -2.9200 O   0  5  0  0  0
    4.8880    1.0810   -0.4500 O   0  0  0  0  0
    3.5670    0.9320    0.1200 C   0  0  0  0  0
    3.3480   -0.5210    0.4670 C   0  0  0  0  0
    1.9280   -0.9900    0.2570 C   0  0  0  0  0
    0.8530   -0.8790    1.0770 C   0  0  0  0  0
    0.8020   -0.2560    2.4360 C   0  0  0  0  0
   -0.2910   -1.4570    0.4890 N   0  3  0  0  0
   -0.0770   -1.9660   -0.7060 C   0  0  0  0  0
    1.5100   -1.7880   -1.2090 S   0  0  0  0  0
   -1.6540   -1.5170    1.1280 C   0  0  0  0  0
   -2.6600   -0.6270    0.4700 C   0  0  0  0  0
   -3.5710   -1.0370   -0.5350 C   0  0  0  0  0
   -3.6480   -2.2860   -1.0250 N   0  0  0  0  0
   -4.4510   -0.1540   -1.0710 N   0  0  0  0  0
   -4.4520    1.1010   -0.6540 C   0  0  0  0  0
   -5.4350    2.0400   -1.2730 C   0  0  0  0  0
   -3.6190    1.5790    0.2960 N   0  0  0  0  0
   -2.7450    0.7080    0.8330 C   0  0  0  0  0
    6.8670    1.5210   -2.9850 H   0  0  0  0  0
    3.4910    1.4790    0.9230 H   0  0  0  0  0
    2.8910    1.2320   -0.5160 H   0  0  0  0  0
    3.6120   -0.6670    1.3990 H   0  0  0  0  0
    3.9310   -1.0730   -0.0950 H   0  0  0  0  0
    0.1020    0.4130    2.4660 H   0  0  0  0  0
    1.6450    0.1650    2.6550 H   0  0  0  0  0
    0.6140   -0.9440    3.0930 H   0  0  0  0  0
   -0.7530   -2.3810   -1.2110 H   0  0  0  0  0
   -1.5960   -1.2710    2.0720 H   0  0  0  0  0
   -1.9740   -2.4400    1.0920 H   0  0  0  0  0
   -4.2580   -2.4730   -1.6260 H   0  0  0  0  0
   -3.1070   -2.9270   -0.7890 H   0  0  0  0  0
   -5.6520    2.7440   -0.6440 H   0  0  0  0  0
   -6.2430    1.5580   -1.5060 H   0  0  0  0  0
   -5.0510    2.4300   -2.0730 H   0  0  0  0  0
   -2.1460    1.0610    1.5210 H   0  0  0  0  0
    1.3740    1.8160   -2.3600 H   0  0  0  0  0
    2.7630    4.2810   -4.3860 H   0  0  0  0  0
    2.0450    3.6710   -0.5040 H   0  0  0  0  0
    0.3620    3.9840   -2.1850 H   0  0  0  0  0
  1  2  2  0  0  0
  2 10  1  0  0  0
  2  4  1  0  0  0
  3  2  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6 47  1  0  0  0
  7  5  1  0  0  0
  7 46  1  0  0  0
  8  5  1  0  0  0
  8 48  1  0  0  0
  9 45  1  0  0  0
 11 12  1  0  0  0
 11 10  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 18  1  0  0  0
 14 13  2  0  0  0
 14 16  1  0  0  0
 15 14  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 19 16  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 27  2  0  0  0
 21 23  2  0  0  0
 21 20  1  0  0  0
 22 21  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 26  2  0  0  0
 25 41  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
 27 26  1  0  0  0
 27 44  1  0  0  0
M  CHG  1   4  -1
M  CHG  1   6  -1
M  CHG  1   7  -1
M  CHG  1   8  -1
M  CHG  1   9  -1
M  CHG  1  16   1
M  END
$$$$
