REMARK  Name = BDB056189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.709   0.298  -0.601  0.00  0.00    +0.259 C 
ATOM      2  C   LIG    1        5.352   1.433   0.383  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        6.069   2.396   0.637  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1        4.178   1.240   1.065  0.00  0.00    -0.280 N 
ATOM      5  H   LIG    1        3.955   1.903   1.794  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        3.276   0.244   0.690  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1        3.512  -0.504  -0.466  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        2.586  -1.457  -0.879  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        1.433  -1.677  -0.122  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.186  -0.931   1.042  0.00  0.00    -0.031 A 
ATOM     11  C   LIG    1        2.119   0.038   1.442  0.00  0.00    +0.032 A 
ATOM     12  O   LIG    1        4.597  -0.299  -1.276  0.00  0.00    -0.478 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        8.126   0.879  -1.200  0.00  0.00    +0.008 C 
ATOM     14  C   LIG    1        6.688   0.769  -1.686  0.00  0.00    +0.051 C 
ENDBRANCH   1  14
BRANCH  10  15
ATOM     15  C   LIG    1       -0.068  -1.178   1.857  0.00  0.00    +0.120 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.309  -0.998   1.088  0.00  0.00    -0.294 NA
ATOM     17  C   LIG    1       -2.468  -1.468   1.860  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -3.744  -1.440   1.001  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -3.919  -0.127   0.278  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1       -2.870   0.708   0.149  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1       -1.497   0.407   0.687  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.247   0.198  -0.281  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -5.999  -0.779  -0.952  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -7.264  -0.480  -1.468  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -7.791   0.798  -1.313  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -9.348   1.166  -1.946  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -7.065   1.780  -0.645  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.800   1.479  -0.130  0.00  0.00    +0.009 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 4