REMARK  Name = BDB047919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.333  -0.177   0.215  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.282  -1.069  -0.055  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.096  -1.003   0.681  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        0.044  -0.087   1.718  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -0.993   0.797   1.982  0.00  0.00    +0.127 A 
ATOM      6  F   LIG    1       -0.862   1.695   2.966  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -2.172   0.765   1.242  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -3.623  -0.245  -0.565  0.00  0.00    +0.147 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -5.789  -0.030   0.655  0.00  0.00    +0.403 C 
ATOM     10  N   LIG    1       -4.717  -0.786   0.234  0.00  0.00    -0.252 N 
ATOM     11  O   LIG    1       -6.811  -0.549   1.099  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -6.712   2.103   0.924  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -5.606   1.304   0.500  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1       -4.773  -2.231   0.436  0.00  0.00    +0.231 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.590  -2.907  -0.656  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1       -5.104  -3.622  -1.522  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.915  -2.630  -0.597  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -7.147  -2.005   0.132  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  O   LIG    1        0.928  -1.882   0.467  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.571  -1.702  -0.809  0.00  0.00    +0.288 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.620  -0.643  -0.786  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        2.511   0.706  -1.060  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        1.416   1.609  -1.451  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        3.746   1.268  -0.900  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        4.555   0.222  -0.537  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        3.930  -0.937  -0.465  0.00  0.00    -0.210 NA
BRANCH  25  27
ATOM     27  C   LIG    1        5.962   0.529  -0.291  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.474   1.829  -0.421  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        7.827   2.093  -0.179  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        8.678   1.057   0.197  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       10.341   1.382   0.495  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        8.190  -0.240   0.333  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        6.838  -0.501   0.090  0.00  0.00    +0.014 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10