REMARK  Name = BDB048165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.745  -0.017   0.022  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.736  -0.958   0.274  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.395  -0.593   0.149  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.041   0.724  -0.234  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.056   1.655  -0.484  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        2.398   1.288  -0.357  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.337   1.046  -0.338  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.757   1.478  -1.698  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.224   2.950  -1.732  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.336   3.237  -0.800  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.468   4.674  -0.580  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.197   2.491   0.469  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.777   1.952   0.753  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1       -0.693  -1.465   0.362  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -1.577  -0.986   0.209  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -0.674  -2.773   0.785  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        0.310  -3.414   1.132  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.007  -3.441   0.848  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -3.052  -3.103  -0.022  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -4.274  -3.781   0.091  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -4.461  -4.788   1.032  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -5.613  -5.465   1.121  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -3.418  -5.134   1.886  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.194  -4.464   1.793  0.00  0.00    +0.016 A 
BRANCH  20  25
ATOM     25  N   LIG    1       -5.361  -3.430  -0.799  0.00  0.00    +0.059 N 
ATOM     26  O   LIG    1       -6.495  -3.328  -0.315  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -5.067  -3.211  -1.983  0.00  0.00    -0.126 OA
ENDBRANCH  20  25
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  28
ATOM     28  C   LIG    1        4.164  -0.449   0.165  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1        4.504  -1.579   0.472  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.001   0.589  -0.090  0.00  0.00    -0.458 OA
BRANCH  30  32
ATOM     31  C   LIG    1        6.846   0.438   1.472  0.00  0.00    +0.052 C 
ATOM     32  C   LIG    1        6.409   0.307   0.017  0.00  0.00    +0.171 C 
ATOM     33  C   LIG    1        7.136   1.321  -0.858  0.00  0.00    +0.052 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 7