REMARK  Name = BDB028760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.496  -0.522   0.659  0.00  0.00    +0.168 A 
ATOM      2  N   LIG    1        1.470  -0.671   1.601  0.00  0.00    -0.333 N 
ATOM      3  H   LIG    1        1.315  -0.926   2.565  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        2.675  -0.419   0.997  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        2.339  -0.124  -0.323  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.357   0.187  -1.237  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        4.685   0.190  -0.789  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        4.988  -0.111   0.540  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1        6.633  -0.097   1.054  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        3.990  -0.424   1.471  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1        0.980  -0.192  -0.513  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   1  12
ATOM     12  S   LIG    1       -1.155  -0.763   1.083  0.00  0.00    -0.075 S 
BRANCH  12  19
ATOM     13  O   LIG    1       -5.479   1.436   0.130  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -4.428   0.847  -0.108  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -4.398  -0.519  -0.224  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.287  -0.990  -0.130  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -3.313  -1.332  -0.460  0.00  0.00    +0.233 C 
ATOM     18  O   LIG    1       -3.462  -2.551  -0.539  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1       -1.952  -0.657  -0.564  0.00  0.00    +0.141 C 
ATOM     20  C   LIG    1       -2.120   0.775  -1.072  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1       -3.110   1.569  -0.232  0.00  0.00    +0.098 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 2