REMARK  Name = BDB041312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.469   1.239   2.239  0.00  0.00    +0.189 A 
ATOM      2  N   LIG    1       -2.717   0.621   1.075  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.680   0.307   0.270  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1       -0.365   0.618   0.628  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        0.702   0.295  -0.241  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        0.485  -0.342  -1.405  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1       -0.790  -0.637  -1.736  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.225   1.232   1.869  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1       -1.895  -0.342  -0.949  0.00  0.00    +0.044 A 
ATOM     10  N   LIG    1       -1.248   1.552   2.683  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.233  -0.700  -1.431  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -4.139  -1.502  -0.773  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1       -3.972  -2.215   0.473  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -5.300  -1.658  -1.442  0.00  0.00    -0.176 NA
ATOM     15  C   LIG    1       -5.138  -0.949  -2.561  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -6.226  -0.877  -3.565  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1       -3.865  -0.343  -2.608  0.00  0.00    +0.052 A 
ENDBRANCH   9  11
BRANCH   1  19
ATOM     18  C   LIG    1       -5.160   1.737   2.069  0.00  0.00    +0.093 C 
ATOM     19  S   LIG    1       -3.834   1.640   3.297  0.00  0.00    -0.089 S 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  N   LIG    1        2.022   0.618   0.124  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        2.086   1.617   0.305  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.039   0.222  -0.849  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.397   0.565  -0.301  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.947  -0.099   0.792  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.372  -1.164   1.649  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.633  -1.578   2.407  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.581  -0.485   2.382  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.194   0.253   1.293  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.947   1.271   0.745  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.421   1.946  -0.356  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        5.164   1.592  -0.866  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.688   2.277  -1.916  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 5