REMARK  Name = BDB047438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.161   0.319  -0.427  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.986  -0.807  -0.307  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        2.263  -0.449  -0.745  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        3.280  -1.429  -0.751  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        3.008  -2.737  -0.332  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.729  -3.095   0.075  0.00  0.00    +0.132 A 
ATOM      7  C   LIG    1        2.196   0.918  -1.118  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1        0.707  -2.136   0.079  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        0.901   1.377  -0.951  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.002   0.334   0.499  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -3.512   0.908  -0.690  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.147   0.913  -0.998  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.232   0.335  -0.117  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -1.693  -0.240   1.070  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.061  -0.237   1.371  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.276  -0.387  -0.315  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -5.511   0.356   0.802  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -5.890  -0.318   2.140  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.005   1.817   0.870  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   9  20
ATOM     20  C   LIG    1        0.419   2.717  -1.143  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1       -0.415   3.325  -0.491  0.00  0.00    -0.243 OA
BRANCH  20  22
ATOM     22  O   LIG    1        1.000   3.312  -2.205  0.00  0.00    -0.476 OA
ATOM     23  H   LIG    1        0.608   4.208  -2.206  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   9  20
BRANCH   6  24
ATOM     24  O   LIG    1        1.327  -4.337   0.483  0.00  0.00    -0.406 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.292  -5.373   0.504  0.00  0.00    +0.575 C 
ATOM     26  F   LIG    1        1.699  -6.509   0.934  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        2.790  -5.603  -0.730  0.00  0.00    -0.133 F 
ATOM     28  F   LIG    1        3.302  -5.083   1.352  0.00  0.00    -0.133 F 
ENDBRANCH  24  25
ENDBRANCH   6  24
BRANCH   7  29
ATOM     29  O   LIG    1        3.185   1.715  -1.591  0.00  0.00    -0.453 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.452   1.674  -1.064  0.00  0.00    +0.129 A 
ATOM     31  C   LIG    1        5.515   1.736  -1.965  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        6.829   1.726  -1.493  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        7.070   1.670  -0.120  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1        8.688   1.656   0.463  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1        6.008   1.631   0.784  0.00  0.00    +0.023 A 
ATOM     36  C   LIG    1        4.694   1.641   0.312  0.00  0.00    +0.048 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 8