REMARK  Name = BDB003050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.421   0.941   1.530  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.619   0.389   0.779  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.694   0.846   0.660  0.00  0.00    -0.274 N 
ATOM      4  N   LIG    1        0.914  -0.714   0.008  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        0.128  -1.287  -0.254  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.179  -1.298  -0.204  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        3.387  -0.683   0.134  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        4.605  -1.323  -0.124  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        4.618  -2.577  -0.727  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1        6.116  -3.361  -1.044  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        3.423  -3.198  -1.078  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        2.207  -2.558  -0.820  0.00  0.00    +0.025 A 
ENDBRANCH   4   6
BRANCH   3  13
ATOM     13  C   LIG    1       -1.073   2.009   1.460  0.00  0.00    +0.183 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.808   3.261   0.702  0.00  0.00    +0.122 A 
ATOM     15  O   LIG    1       -1.877   3.843   0.082  0.00  0.00    -0.466 OA
ATOM     16  C   LIG    1       -1.413   4.955  -0.544  0.00  0.00    +0.195 A 
ATOM     17  C   LIG    1       -0.061   5.097  -0.338  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        0.332   4.002   0.467  0.00  0.00    +0.046 A 
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   3  19
ATOM     19  C   LIG    1       -1.599   0.487  -0.436  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.271  -0.851  -0.262  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1       -2.606  -1.607  -1.383  0.00  0.00    +0.115 A 
ATOM     22  N   LIG    1       -3.205  -2.817  -1.333  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1       -3.514  -3.293  -0.108  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -3.248  -2.614   1.068  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.621  -1.373   0.987  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5