REMARK  Name = BDB058164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.485   0.154   0.593  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        2.029   0.857   1.644  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.450   1.378   2.286  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.378   0.995   1.847  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1        3.833   1.659   2.771  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.243   0.303   0.880  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1        3.619  -0.391  -0.158  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1        4.441  -1.044  -1.083  0.00  0.00    +0.149 A 
ATOM      9  C   LIG    1        5.833  -1.008  -0.978  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.435  -0.309   0.067  0.00  0.00    +0.004 A 
ATOM     11  F   LIG    1        3.898  -1.725  -2.105  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1        5.639   0.351   1.002  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        2.218  -0.445  -0.290  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.819   0.057   0.222  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.214   0.216   1.480  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -0.821   0.246   1.620  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.000   0.124   0.495  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -0.586  -0.053  -0.761  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -1.978  -0.083  -0.896  0.00  0.00    +0.007 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.800  -1.354  -0.436  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.339   0.019   0.068  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -4.830   1.133  -0.866  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.963   0.235   1.341  0.00  0.00    -0.385 OA
ATOM     24  H   LIG    1       -5.925   0.190   1.209  0.00  0.00    +0.211 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3