REMARK  Name = BDB017433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.679   1.889  -0.521  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.820   2.523   0.397  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.484   2.035   0.545  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        0.982   0.961  -0.181  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.326   0.796   0.276  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1        2.633   1.703   1.216  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1        0.138   0.338  -1.118  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        1.516   2.434   1.347  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        1.522   3.200   2.010  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -1.172   0.817  -1.276  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  14
ATOM     11  O   LIG    1       -5.902   2.380  -1.947  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -5.484   1.443  -1.288  0.00  0.00    +0.229 C 
ATOM     13  C   LIG    1       -4.290   1.496  -0.363  0.00  0.00    +0.083 C 
ATOM     14  C   LIG    1       -3.100   2.363  -0.723  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -3.983   2.714   0.459  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -4.224   0.114   0.213  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -5.257  -0.640  -0.354  0.00  0.00    +0.129 A 
ATOM     18  N   LIG    1       -5.538  -1.922  -0.102  0.00  0.00    -0.239 NA
ATOM     19  C   LIG    1       -4.710  -2.504   0.802  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1       -3.652  -1.847   1.436  0.00  0.00    +0.036 A 
ATOM     21 BR   LIG    1       -2.567  -2.761   2.679  0.00  0.00    -0.049 Br
ATOM     22  C   LIG    1       -3.404  -0.506   1.142  0.00  0.00    +0.024 A 
ATOM     23  N   LIG    1       -5.981   0.159  -1.232  0.00  0.00    -0.269 N 
ATOM     24  H   LIG    1       -6.782  -0.171  -1.744  0.00  0.00    +0.156 HD
ENDBRANCH   1  14
BRANCH   5  25
ATOM     25  C   LIG    1        3.236  -0.205  -0.201  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        4.496  -0.365   0.241  0.00  0.00    +0.011 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.420  -1.396  -0.243  0.00  0.00    -0.007 A 
ATOM     28  C   LIG    1        5.504  -1.787  -1.577  0.00  0.00    +0.118 A 
ATOM     29  N   LIG    1        6.363  -2.723  -2.052  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        7.195  -3.289  -1.153  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        7.210  -2.961   0.193  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.312  -1.997   0.649  0.00  0.00    +0.011 A 
ENDBRANCH  26  27
ENDBRANCH   5  25
TORSDOF 3