REMARK  Name = BDB042541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.591  -1.452   2.699  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.450  -1.195   1.504  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.376  -1.588   0.550  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.250  -1.325  -0.892  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.284  -2.096  -1.729  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        3.656  -1.824  -1.265  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        3.843  -1.812   0.210  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        2.593  -2.295   0.971  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.511  -0.983  -1.980  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.069  -0.095  -2.972  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.959   0.732  -3.672  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        6.319   0.680  -3.393  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        7.412   1.692  -4.251  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        6.794  -0.191  -2.422  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        5.896  -1.010  -1.728  0.00  0.00    +0.024 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1       -0.760  -0.429   0.996  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.651   0.044   2.146  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.867   0.783   1.643  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -2.669   2.054   1.153  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -1.741   2.462   1.154  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -3.659   2.875   0.658  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -3.415   3.996   0.228  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.036   2.325   0.672  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -5.242   1.032   1.179  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -6.538   0.503   1.200  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.607   1.263   0.717  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -7.379   2.543   0.217  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -8.412   3.260  -0.243  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.102   3.086   0.189  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -4.102   0.258   1.678  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4