REMARK  Name = BDB001761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.563  -0.941  -0.470  0.00  0.00    +0.158 A 
ATOM      2  C   LIG    1       -1.404   0.043   0.065  0.00  0.00    +0.115 A 
ATOM      3  C   LIG    1       -2.727   0.110  -0.425  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -3.555   1.117   0.121  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -3.075   1.984   1.094  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.771   1.827   1.508  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -3.143  -0.821  -1.414  0.00  0.00    +0.050 A 
ATOM      8 CL   LIG    1       -4.750  -0.805  -2.065  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.276  -1.802  -1.904  0.00  0.00    +0.024 A 
ATOM     10  N   LIG    1       -0.942   0.883   1.019  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -0.976  -1.869  -1.426  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        0.754  -1.058   0.002  0.00  0.00    -0.418 OA
BRANCH  12  14
ATOM     13  O   LIG    1        1.311   0.714  -1.407  0.00  0.00    -0.241 OA
ATOM     14  C   LIG    1        1.589  -0.063  -0.497  0.00  0.00    +0.380 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.866  -0.112   0.178  0.00  0.00    +0.212 A 
ATOM     16  O   LIG    1        3.112  -1.068   1.130  0.00  0.00    -0.456 OA
ATOM     17  C   LIG    1        4.376  -0.872   1.584  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1        4.960   0.193   0.941  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        3.990   0.683   0.034  0.00  0.00    +0.056 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 3