REMARK  Name = BDB046981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.273   1.346  -1.200  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.124   1.526  -0.956  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.522   0.595   0.015  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.854   0.554   0.489  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.375  -0.359   1.538  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.730  -1.520   1.862  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.251  -2.076   2.531  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.618  -2.126   1.172  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.367  -1.269   1.248  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.418  -0.091   2.131  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.769   1.480  -0.051  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.394   2.397  -1.024  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.394  -0.146   0.323  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.079   2.426  -1.479  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.706   0.313  -0.381  0.00  0.00    +0.060 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        2.052  -0.239  -0.237  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.851   0.132   0.852  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        4.139  -0.392   0.987  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.628  -1.284   0.034  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.213  -1.930   0.202  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.841  -1.655  -1.056  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.553  -1.131  -1.192  0.00  0.00    +0.011 A 
ENDBRANCH  15  16
BRANCH   1  24
ATOM     23  O   LIG    1        0.712   2.990  -2.856  0.00  0.00    -0.296 OA
ATOM     24  C   LIG    1        1.119   2.100  -2.113  0.00  0.00    +0.261 C 
ENDBRANCH   1  24
TORSDOF 2