REMARK  Name = BDB003185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.432  -1.026   0.645  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        1.104  -1.062   0.228  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1        0.438  -0.024  -0.570  0.00  0.00    +0.127 C 
ATOM      4  C   LIG    1       -0.995   0.263  -0.090  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1       -1.821  -0.946   0.019  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1       -3.218  -0.970  -0.056  0.00  0.00    +0.282 C 
ATOM      7  O   LIG    1       -3.803  -2.046  -0.207  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -1.105  -2.223   0.078  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1        0.240  -2.098   0.800  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1        2.826  -1.754   1.555  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.247   0.891   2.152  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1        4.142   0.769   0.715  0.00  0.00    -0.261 N 
ATOM     13  C   LIG    1        3.324  -0.087   0.017  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1        3.656   0.113  -1.308  0.00  0.00    +0.091 A 
ATOM     15 CL   LIG    1        3.119  -0.705  -2.692  0.00  0.00    -0.080 Cl
ATOM     16  C   LIG    1        4.604   1.152  -1.305  0.00  0.00    +0.155 A 
ATOM     17  N   LIG    1        4.883   1.578  -0.071  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  C   LIG    1       -3.973   0.271   0.047  0.00  0.00    +0.189 A 
ATOM     19  O   LIG    1       -3.413   1.414   0.558  0.00  0.00    -0.458 OA
ATOM     20  C   LIG    1       -4.371   2.375   0.557  0.00  0.00    +0.196 A 
ATOM     21  C   LIG    1       -5.553   1.877   0.066  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1       -5.302   0.521  -0.252  0.00  0.00    +0.054 A 
ENDBRANCH   6  18
TORSDOF 2