REMARK  Name = BDB055753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   1.389   0.719  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -1.387   0.874   0.402  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.520   1.661   0.651  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.389   2.936   1.204  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.114   3.431   1.510  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.033   2.664   1.270  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.474  -0.420  -0.171  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -2.284  -1.382   0.618  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -3.552  -1.847  -0.132  0.00  0.00    +0.100 C 
ATOM     10  N   LIG    1       -3.318  -2.407  -1.476  0.00  0.00    -0.313 NA
ATOM     11  H   LIG    1       -3.138  -3.408  -1.402  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1       -2.155  -1.776  -2.133  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1       -1.819  -0.363  -1.613  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  16
ATOM     14  O   LIG    1        2.833   1.758   1.093  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.321   0.736   0.649  0.00  0.00    +0.250 C 
ATOM     16  N   LIG    1        0.979   0.525   0.446  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        0.665  -0.371   0.075  0.00  0.00    +0.155 HD
BRANCH  15  18
ATOM     18  C   LIG    1        3.225  -0.366   0.216  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        2.971  -1.731   0.408  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1        1.580  -2.336   1.235  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        3.891  -2.683  -0.052  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.066  -2.283  -0.691  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.333  -0.929  -0.869  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.420   0.024  -0.414  0.00  0.00    +0.014 A 
ENDBRANCH  15  18
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  N   LIG    1       -0.985   4.774   2.090  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        0.152   5.244   2.228  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -2.029   5.365   2.404  0.00  0.00    -0.126 OA
ENDBRANCH   5  25
TORSDOF 4