REMARK  Name = BDB051966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331   0.737  -0.073  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.975  -0.484  -0.115  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.379  -1.290  -0.253  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.872   1.835  -0.110  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -4.104   3.163  -1.737  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -4.408   1.888  -1.008  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -3.285   1.187  -0.509  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -3.306  -0.010   0.219  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -1.983  -0.354   0.535  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.756  -1.500   1.334  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -2.829  -2.289   1.756  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.127  -1.951   1.406  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.130   0.627  -0.058  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -4.386  -0.811   0.642  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -1.961   1.560  -0.648  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -5.542   1.453  -0.843  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        2.364  -0.730  -0.098  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.333   0.259   0.088  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.698  -0.073   0.099  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        5.097  -1.402  -0.074  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        4.131  -2.385  -0.254  0.00  0.00    +0.020 A 
ATOM     22 BR   LIG    1        4.659  -4.187  -0.484  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        2.774  -2.059  -0.265  0.00  0.00    +0.038 A 
BRANCH  19  24
ATOM     24  C   LIG    1        5.686   1.015   0.303  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        5.433   2.190   0.485  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.956   0.575   0.269  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        7.486   1.388   0.413  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   2  17
TORSDOF 4