REMARK  Name = BDB047131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.097  -0.109  -0.528  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1        0.194  -0.816  -0.222  0.00  0.00    +0.273 C 
ATOM      3  O   LIG    1        0.261  -1.991   0.110  0.00  0.00    -0.268 OA
ATOM      4  N   LIG    1        1.222   0.079  -0.346  0.00  0.00    -0.200 N 
ATOM      5  C   LIG    1        0.741   1.248  -0.857  0.00  0.00    +0.271 C 
ATOM      6  O   LIG    1        1.345   2.220  -1.282  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.723   1.118  -0.907  0.00  0.00    +0.130 C 
ATOM      8 CL   LIG    1       -1.683   2.393  -1.496  0.00  0.00    -0.076 Cl
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.604  -0.229  -0.191  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        3.547   0.692   0.338  0.00  0.00    -0.026 A 
ATOM     11  C   LIG    1        3.133   2.007   0.956  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        4.928   0.353   0.341  0.00  0.00    -0.046 A 
ATOM     13  C   LIG    1        5.982   1.306   0.844  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        5.337  -0.917  -0.087  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.407  -1.843  -0.536  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.057  -1.501  -0.589  0.00  0.00    +0.024 A 
ENDBRANCH   4   9
BRANCH   1  17
ATOM     17  N   LIG    1       -2.354  -0.720  -0.445  0.00  0.00    -0.295 N 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.533   0.019  -0.151  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -4.675  -0.099  -0.957  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -5.835   0.623  -0.668  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.872   1.472   0.435  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.749   1.602   1.248  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.588   0.881   0.957  0.00  0.00    +0.023 A 
ENDBRANCH  17  18
BRANCH  17  25
ATOM     24  C   LIG    1       -2.620  -2.631   1.131  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.560  -2.179  -0.324  0.00  0.00    +0.108 C 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4