REMARK  Name = BDB018425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.697   4.332  -1.116  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        3.290   2.957  -0.867  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        4.190   1.929  -1.109  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        5.337   2.074  -1.520  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.689   0.562  -0.832  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.434   0.344  -0.398  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        1.524   1.481  -0.179  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.002   2.720  -0.421  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.104  -1.072  -0.126  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        1.905  -1.972  -1.186  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        1.635  -3.316  -0.925  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        1.563  -3.757   0.391  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        1.284  -5.043   0.639  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        1.745  -2.879   1.453  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        2.017  -1.534   1.195  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        0.172   1.313   0.268  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -0.786   0.482  -0.268  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1       -1.954   0.683   0.442  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1       -1.788   1.666   1.373  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1       -0.504   2.007   1.286  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.240   0.105   0.238  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1       -3.447  -1.105  -0.443  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1       -4.750  -1.549  -0.722  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -5.853  -0.815  -0.286  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.659   0.356   0.441  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.365   0.812   0.706  0.00  0.00    +0.028 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -2.377  -2.052  -0.786  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -2.145  -2.517  -1.884  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -1.715  -2.416   0.323  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -1.067  -3.089   0.028  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 5