REMARK  Name = BDB053088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.519   1.276   3.308  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.925   0.574   2.513  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.756   0.765   1.157  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.128  -0.234   0.544  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.319  -1.204   1.700  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.921  -2.456   1.744  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.953  -3.143   2.964  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.375  -2.590   4.119  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.255  -1.347   4.070  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.271  -0.688   2.853  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.538  -0.872  -0.685  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.708  -1.648  -0.543  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.344  -2.212  -1.654  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.821  -2.008  -2.926  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        2.602  -2.696  -4.295  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.673  -1.241  -3.098  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.040  -0.674  -1.987  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        1.193   1.967   0.472  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.549   1.799  -0.178  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        3.694   1.609   0.604  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.934   1.427  -0.007  0.00  0.00    +0.133 A 
ATOM     22  N   LIG    1        5.068   1.430  -1.383  0.00  0.00    -0.147 N 
ATOM     23  O   LIG    1        6.200   1.256  -1.927  0.00  0.00    -0.164 OA
ATOM     24  C   LIG    1        3.936   1.630  -2.152  0.00  0.00    +0.133 A 
ATOM     25  C   LIG    1        2.682   1.820  -1.569  0.00  0.00    +0.026 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -1.310   0.505   0.223  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.536  -0.212   0.141  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.634   0.662  -0.456  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -3.269   1.770  -1.433  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.695   2.122  -0.034  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -4.931  -0.104  -0.636  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.870   0.598  -1.437  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -6.125   1.397  -0.948  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8