REMARK  Name = BDB051375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.618   0.227  -1.720  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -2.008  -0.822  -2.409  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.622  -0.990  -2.342  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.171  -0.112  -1.598  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.440   0.938  -0.914  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.828   1.109  -0.980  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -4.381   0.464  -1.796  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.928  -0.870  -0.655  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.529  -0.578   0.785  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1       -4.178   0.478   1.286  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -4.590  -1.686   1.561  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -4.307  -1.366   2.444  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -6.428  -1.194  -0.790  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.443  -0.040  -0.800  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.966   0.036   1.695  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.527   0.814   0.465  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        1.506  -0.402  -1.616  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.420   0.523  -1.025  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.642   0.181   0.447  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.577   1.171   1.133  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.831   1.274   0.461  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.830   0.399   0.780  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        7.037   0.637   0.114  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        8.169  -0.174   0.324  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        8.064  -1.240   1.222  0.00  0.00    +0.053 A 
ATOM     26 CL   LIG    1        9.387  -2.296   1.554  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        6.859  -1.485   1.887  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        5.745  -0.669   1.667  0.00  0.00    +0.047 A 
BRANCH  24  29
ATOM     29  C   LIG    1        9.449   0.117  -0.409  0.00  0.00    +0.419 C 
ATOM     30  F   LIG    1        9.356   1.196  -1.241  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        9.855  -0.912  -1.203  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       10.489   0.396   0.423  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 14