REMARK  Name = BDB047282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.457   1.230  -1.520  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -6.082  -0.144  -0.083  0.00  0.00    +0.206 C 
ATOM      3  O   LIG    1       -4.962   0.678  -0.463  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -3.720   0.102  -0.418  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -3.466  -1.165   0.103  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -2.160  -1.667   0.059  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -1.119  -0.902  -0.476  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -1.373   0.372  -0.979  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -4.571  -1.997   0.683  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -2.678   0.869  -0.941  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1       -5.740  -1.101   1.068  0.00  0.00    +0.064 C 
BRANCH   2  13
ATOM     12  C   LIG    1       -6.910   1.781   1.436  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -7.234   0.815   0.302  0.00  0.00    +0.056 C 
ENDBRANCH   2  13
BRANCH   2  14
ATOM     14  C   LIG    1       -6.588  -0.931  -1.312  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -7.362  -1.877  -1.260  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.114  -0.450  -2.489  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.487   0.287  -2.326  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   2  14
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1        0.877   0.772  -1.733  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.738   1.018  -0.500  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.184   0.603  -0.737  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.909   0.840   0.468  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.241   0.524   0.493  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.920   0.737   1.702  0.00  0.00    +0.086 A 
ATOM     24 CL   LIG    1        5.108   1.367   3.093  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        7.282   0.444   1.817  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        7.994  -0.068   0.730  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1        7.325  -0.282  -0.474  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.958   0.012  -0.591  0.00  0.00    +0.051 A 
BRANCH  26  29
ATOM     29  O   LIG    1        9.314  -0.309   0.981  0.00  0.00    -0.406 OA
BRANCH  29  30
ATOM     30  C   LIG    1       10.107  -0.831  -0.072  0.00  0.00    +0.575 C 
ATOM     31  F   LIG    1        9.642  -2.032  -0.480  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       10.140   0.018  -1.121  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1       11.370  -0.999   0.375  0.00  0.00    -0.133 F 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11