REMARK  Name = BDB056231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.658   0.387  -1.865  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        1.099   0.022  -0.832  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1        1.435   0.519   0.407  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        0.781   0.279   1.150  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.285   1.682   0.564  0.00  0.00    +0.178 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.754   1.299   0.446  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1        4.167   0.880  -0.790  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1        3.480   0.750  -1.531  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1        5.434   0.442  -1.030  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1        5.785  -0.044  -2.098  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        6.359   0.580   0.108  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1        7.790   0.203  -0.096  0.00  0.00    +0.202 C 
ATOM     13  O   LIG    1        8.627   0.644   0.987  0.00  0.00    -0.375 OA
ATOM     14  C   LIG    1        8.053   0.342   2.260  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1        6.773   1.151   2.463  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        5.860   1.032   1.270  0.00  0.00    +0.056 A 
ATOM     17  N   LIG    1        4.546   1.383   1.469  0.00  0.00    -0.237 NA
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.035  -1.081  -0.796  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.973  -0.802   0.255  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -1.742  -2.005   0.603  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.735  -2.445  -0.477  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -3.667  -1.314  -0.943  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1       -2.878  -0.029  -1.212  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -1.884   0.299  -0.094  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.804  -1.067   0.054  0.00  0.00    +0.166 C 
ATOM     26  O   LIG    1       -4.718  -1.417   1.230  0.00  0.00    -0.292 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -6.058  -0.375  -0.393  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1       -6.298  -0.009  -1.725  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.491   0.633  -2.075  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -8.441   0.907  -1.098  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1       -9.580   1.522  -1.440  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -8.223   0.551   0.226  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -7.034  -0.090   0.579  0.00  0.00    +0.014 A 
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6