REMARK  Name = BDB047440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.019  -0.394  -0.209  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.604  -1.378   0.599  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        1.952  -1.485   0.234  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.764  -2.449   0.875  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.222  -3.281   1.858  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        0.879  -3.180   2.190  0.00  0.00    +0.043 A 
ATOM      7 CL   LIG    1        0.218  -4.235   3.380  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.169  -0.529  -0.793  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1        0.048  -2.247   1.565  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        0.987   0.132  -1.057  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.124   0.616  -0.205  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -3.408   0.466   0.994  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.047   0.135   0.996  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -1.367  -0.053  -0.209  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -2.055   0.096  -1.415  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.415   0.423  -1.407  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.252   1.157   1.158  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -5.620   0.976  -0.241  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -6.406  -0.144  -0.955  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -5.816   2.303  -1.006  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH  10  21
ATOM     21  C   LIG    1        0.823   1.214  -1.981  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1        1.227   1.291  -3.130  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1        0.181   2.254  -1.412  0.00  0.00    -0.476 OA
ATOM     24  H   LIG    1        0.159   2.927  -2.123  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  10  21
BRANCH   8  25
ATOM     25  O   LIG    1        3.305  -0.246  -1.474  0.00  0.00    -0.453 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.524  -0.204  -0.845  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        4.718   0.456   0.371  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        5.990   0.490   0.962  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1        7.065  -0.121   0.296  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        6.871  -0.758  -0.931  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.601  -0.794  -1.504  0.00  0.00    +0.046 A 
BRANCH  28  32
ATOM     32  C   LIG    1        6.205   1.212   2.269  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1        5.120   1.163   3.090  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.241   0.706   2.995  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        6.482   2.533   2.092  0.00  0.00    -0.166 F 
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 7