REMARK  Name = BDB056415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.831  -1.490   0.577  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.567  -1.841   0.103  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.337  -3.211   0.444  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.466  -3.652   1.122  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.695  -4.876   1.634  0.00  0.00    -0.236 NA
ATOM      6  C   LIG    1       -0.662  -5.731   1.423  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        0.518  -5.425   0.756  0.00  0.00    +0.060 A 
ATOM      8 CL   LIG    1        1.743  -6.614   0.557  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1        0.701  -4.141   0.247  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -2.346  -2.612   1.194  0.00  0.00    -0.339 N 
ATOM     11  H   LIG    1       -3.238  -2.669   1.660  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.042   2.176   0.489  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -4.630   0.989   0.055  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -3.905  -0.208   0.084  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -2.583  -0.234   0.546  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -1.998   0.959   0.980  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.724   2.153   0.950  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.978   3.485   0.055  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.634   3.408   0.513  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   2  20
ATOM     20  C   LIG    1        0.319  -0.938  -0.617  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        1.601  -0.673  -0.117  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        2.473   0.188  -0.801  0.00  0.00    -0.031 A 
ATOM     23  C   LIG    1        2.038   0.792  -1.990  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        0.763   0.528  -2.493  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -0.092  -0.337  -1.811  0.00  0.00    +0.008 A 
BRANCH  22  26
ATOM     26  C   LIG    1        3.844   0.493  -0.250  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.871   1.827   0.353  0.00  0.00    -0.190 NA
ATOM     28  H   LIG    1        3.157   2.008   1.060  0.00  0.00    +0.148 HD
BRANCH  27  29
ATOM     29  S   LIG    1        5.364   2.433   0.808  0.00  0.00    +0.027 S 
ATOM     30  O   LIG    1        5.094   3.430   1.819  0.00  0.00    -0.158 OA
ATOM     31  O   LIG    1        6.250   1.319   1.053  0.00  0.00    -0.158 OA
ATOM     32  C   LIG    1        5.875   3.271  -0.677  0.00  0.00    +0.214 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 6