REMARK  Name = BDB008087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055   0.319   0.917  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.506  -1.893   0.751  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1        0.976  -0.783   1.417  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.501  -0.824   2.767  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1        2.343  -1.927   2.866  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.032  -2.266   4.038  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.849  -1.444   5.151  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        2.014  -0.333   5.098  0.00  0.00    +0.021 A 
ATOM      9 CL   LIG    1        3.673  -1.815   6.617  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        1.336  -0.013   3.913  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        2.333  -2.541   1.645  0.00  0.00    -0.349 N 
ATOM     12  H   LIG    1        2.854  -3.375   1.409  0.00  0.00    +0.166 HD
BRANCH   2  13
ATOM     13  C   LIG    1        1.323  -2.389  -0.597  0.00  0.00    +0.356 C 
ATOM     14  O   LIG    1        0.511  -1.994  -1.419  0.00  0.00    -0.243 OA
BRANCH  13  15
ATOM     15  O   LIG    1        2.198  -3.417  -0.817  0.00  0.00    -0.460 OA
BRANCH  15  17
ATOM     16  C   LIG    1        3.141  -5.084  -2.243  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        2.111  -3.977  -2.133  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.173  -0.121   0.077  0.00  0.00    +0.239 C 
ATOM     19  N   LIG    1       -1.154   0.258  -1.251  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1       -0.214   0.187  -1.644  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.090  -0.768   0.586  0.00  0.00    -0.273 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.247   0.022  -2.205  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -1.855   0.692  -3.535  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -2.476  -1.476  -2.460  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -3.554   0.669  -1.716  0.00  0.00    +0.031 C 
ENDBRANCH  19  22
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  N   LIG    1        0.842   1.488   0.467  0.00  0.00    -0.284 N 
ATOM     27  C   LIG    1        1.675   1.442  -0.627  0.00  0.00    +0.329 C 
ATOM     28  O   LIG    1        1.842   0.490  -1.375  0.00  0.00    -0.279 OA
BRANCH  26  29
ATOM     29  C   LIG    1        0.582   2.773   1.101  0.00  0.00    +0.143 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.698   3.414   0.624  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -1.859   3.359   1.409  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.043   3.949   0.965  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.082   4.597  -0.267  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.938   4.651  -1.061  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -0.753   4.060  -0.620  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 9