REMARK  Name = BDB032636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.190  -2.805   0.225  0.00  0.00    -0.183 N 
ATOM      2  H   LIG    1       -0.540  -3.193  -0.647  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.482  -1.522   0.212  0.00  0.00    +0.237 A 
ATOM      4  O   LIG    1        0.654  -0.690   1.268  0.00  0.00    -0.338 OA
ATOM      5  N   LIG    1        1.310   0.453   0.858  0.00  0.00    -0.076 NA
ATOM      6  C   LIG    1        1.571   0.296  -0.452  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        1.056  -0.954  -0.896  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.276   1.322  -1.230  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        2.682   1.081  -2.552  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.345   2.069  -3.289  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.611   3.309  -2.716  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.218   3.565  -1.405  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.556   2.578  -0.667  0.00  0.00    +0.010 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -1.913  -4.341   1.204  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -1.114  -3.189   1.568  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -0.243  -3.235   2.725  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.218  -1.831   1.760  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1       -3.103  -1.538   0.730  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1       -3.083  -2.228  -0.419  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1       -4.010  -0.489   0.863  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -4.022   0.271   2.033  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -3.121  -0.013   3.063  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.217  -1.069   2.933  0.00  0.00    +0.032 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4