REMARK  Name = BDB019559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.914  -1.404   0.007  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.573  -1.465  -0.389  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.008  -0.410  -1.115  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.792   0.698  -1.464  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.135   0.775  -1.069  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.682  -0.280  -0.323  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.340  -4.325  -0.963  0.00  0.00    +0.173 C 
ATOM      8  N   LIG    1       -2.670  -3.785   0.337  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1       -2.508  -2.490   0.777  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -3.043  -2.478   2.052  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -3.457  -3.798   2.295  0.00  0.00    +0.135 A 
ATOM     12  N   LIG    1       -3.222  -4.600   1.257  0.00  0.00    -0.179 NA
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        1.412  -0.434  -1.554  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        2.293  -1.099  -0.729  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.997  -1.341   0.207  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.742   0.144  -2.583  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.717  -1.078  -0.981  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.385   0.021  -0.194  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        4.944  -0.237   1.067  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        5.541   0.791   1.806  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        6.210   0.385   3.347  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        5.577   2.091   1.291  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        6.295   3.408   2.147  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        5.013   2.357   0.041  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        4.418   1.329  -0.695  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   3  13
BRANCH   5  26
ATOM     26  C   LIG    1       -2.965   1.987  -1.411  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.942   2.960  -0.335  0.00  0.00    -0.332 N 
ATOM     28  C   LIG    1       -3.873   3.075   0.658  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1       -3.591   4.071   1.467  0.00  0.00    -0.244 NA
ATOM     30  C   LIG    1       -2.438   4.624   0.972  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -2.020   3.954  -0.154  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6