REMARK  Name = BDB025332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.099   0.067   0.185  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1        0.596   1.327   0.062  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        1.936   1.265   0.041  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.578   2.502  -0.075  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        1.617   3.503  -0.143  0.00  0.00    +0.067 A 
ATOM      6 CL   LIG    1        4.259   2.772  -0.133  0.00  0.00    -0.082 Cl
ATOM      7  C   LIG    1        2.368  -0.061   0.136  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        3.609  -0.727   0.155  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.645  -2.121   0.252  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.467  -2.857   0.328  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        1.220  -2.226   0.312  0.00  0.00    +0.026 A 
ATOM     12  S   LIG    1       -0.004   2.878  -0.066  0.00  0.00    -0.077 S 
ATOM     13  C   LIG    1        1.180  -0.823   0.218  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -5.362   0.448  -0.178  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.148   0.280  -0.126  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.406   0.781   0.913  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.932   1.265   1.629  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -2.112   0.453   1.250  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -1.692   0.707   2.377  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -1.313  -0.314   0.203  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1       -1.936  -0.184  -1.189  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.406  -0.563  -1.134  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1