REMARK  Name = BDB001538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.592   1.649  -3.067  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        2.086   2.224  -4.223  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1        1.286   2.825  -5.115  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1        3.442   2.167  -4.412  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1        4.286   1.587  -3.537  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        3.742   1.050  -2.431  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        2.423   1.062  -2.182  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        0.188   1.662  -2.854  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -0.197   2.557  -3.136  0.00  0.00    +0.154 HD
BRANCH   8  13
ATOM     10  C   LIG    1       -2.108  -0.186   0.189  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -0.913  -0.773  -0.234  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -0.154  -0.174  -1.244  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -0.549   1.035  -1.829  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -1.761   1.604  -1.409  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -2.531   1.009  -0.401  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     16  N   LIG    1       -4.247  -0.720   1.225  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -4.675  -0.218   0.460  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -2.874  -0.848   1.278  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -2.282  -1.480   2.146  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -5.191  -0.296   3.446  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -5.109  -1.261   2.265  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1       -6.498  -1.546   1.703  0.00  0.00    +0.027 C 
ENDBRANCH  16  21
ENDBRANCH  10  18
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   6  23
ATOM     23  N   LIG    1        4.644   0.446  -1.561  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        5.574   0.504  -1.948  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.521  -0.133  -0.293  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        3.353  -0.082   0.477  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        3.267  -0.721   1.720  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        4.362  -1.424   2.203  0.00  0.00    +0.117 A 
ATOM     29  C   LIG    1        5.534  -1.494   1.466  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        5.610  -0.856   0.224  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  O   LIG    1        4.322  -2.064   3.405  0.00  0.00    -0.507 OA
ATOM     32  H   LIG    1        3.432  -1.956   3.780  0.00  0.00    +0.292 HD
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7