REMARK  Name = BDB048497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.103  -0.174  -0.184  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1       -0.045  -0.951  -0.120  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1       -1.073  -0.038   0.064  0.00  0.00    -0.127 N 
ATOM      4  N   LIG    1       -0.620   1.245   0.233  0.00  0.00    -0.156 NA
ATOM      5  C   LIG    1        0.695   1.148   0.032  0.00  0.00    +0.164 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.202  -2.395  -0.238  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.052  -3.019  -1.482  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -0.192  -4.405  -1.596  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -0.478  -5.168  -0.467  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -0.651  -6.874  -0.608  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -0.621  -4.558   0.778  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.480  -3.173   0.894  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   1  14
ATOM     13  O   LIG    1        2.959  -1.663   0.607  0.00  0.00    -0.164 OA
ATOM     14  S   LIG    1        2.710  -0.711  -0.454  0.00  0.00    +0.029 S 
ATOM     15  O   LIG    1        2.727  -1.070  -1.857  0.00  0.00    -0.164 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.778   0.683  -0.213  0.00  0.00    +0.094 A 
ATOM     17  C   LIG    1        4.176   1.450  -1.313  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        5.028   2.540  -1.118  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        5.482   2.846   0.166  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.529   4.190   0.401  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        5.098   2.069   1.259  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.247   0.978   1.072  0.00  0.00    +0.029 A 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  S   LIG    1       -2.733  -0.500   0.270  0.00  0.00    +0.101 S 
ATOM     24  O   LIG    1       -3.056  -1.438  -0.786  0.00  0.00    -0.146 OA
ATOM     25  O   LIG    1       -2.830  -0.857   1.676  0.00  0.00    -0.146 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.663   0.980  -0.008  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1       -3.605   1.665  -1.225  0.00  0.00    +0.069 A 
ATOM     28 CL   LIG    1       -2.645   1.161  -2.569  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1       -4.365   2.828  -1.397  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.177   3.293  -0.364  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1       -6.106   4.723  -0.586  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -5.245   2.606   0.846  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -4.491   1.446   1.026  0.00  0.00    +0.032 A 
ENDBRANCH  23  26
ENDBRANCH   3  23
TORSDOF 5