REMARK  Name = BDB019824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.870   2.283  -1.038  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.451   1.847  -1.221  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.725   0.531  -1.615  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.334  -0.347  -1.867  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.663   0.063  -1.688  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.918   1.377  -1.272  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.628   2.904   1.785  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.515   3.970   0.727  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -1.152   3.658  -0.603  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -1.058   4.702  -1.541  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.327   6.023  -1.181  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.697   6.322   0.125  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.792   5.303   1.073  0.00  0.00    +0.004 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.147   0.107  -1.744  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.398  -1.241  -1.599  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        1.664  -1.841  -1.247  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        3.026   0.942  -1.930  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.746  -1.756  -1.546  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.187  -1.935  -0.115  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        4.003  -3.161   0.543  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.377  -3.312   1.883  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        4.112  -4.854   2.619  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        4.936  -2.235   2.578  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        5.418  -2.349   4.234  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.114  -1.009   1.931  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.737  -0.860   0.595  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.789  -0.927  -1.884  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.037  -1.672  -0.668  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -2.336  -2.825  -0.303  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -1.414  -3.419  -0.976  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -1.109  -4.239  -0.450  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -2.860  -3.163   0.950  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -2.376  -4.231   1.790  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -3.800  -2.214   1.332  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -3.910  -1.311   0.348  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6