REMARK  Name = BDB048865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.353  -0.400  -0.503  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -2.069  -1.562  -1.395  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1       -0.562  -1.726  -1.221  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.015  -0.331  -0.841  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -1.236   0.276  -0.199  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  15
ATOM      6  O   LIG    1       -5.159   1.589   2.663  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -5.070   0.981   1.603  0.00  0.00    +0.260 A 
ATOM      8  C   LIG    1       -6.257   0.588   0.825  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -6.049  -0.125  -0.361  0.00  0.00    +0.097 A 
ATOM     10  C   LIG    1       -7.181  -0.502  -1.100  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -8.471  -0.173  -0.662  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -8.651   0.538   0.524  0.00  0.00    +0.002 A 
ATOM     13 CL   LIG    1       -7.032  -1.386  -2.580  0.00  0.00    -0.081 Cl
ATOM     14  N   LIG    1       -4.750  -0.457  -0.804  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1       -3.736  -0.076  -0.101  0.00  0.00    +0.137 A 
ATOM     16  C   LIG    1       -7.542   0.921   1.273  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -3.862   0.619   1.070  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -3.053   0.858   1.622  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        1.161  -0.389   0.041  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1        1.557   0.944   0.532  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1        3.024   1.021   0.953  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        3.933   0.784  -0.264  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        3.343  -0.273  -1.216  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        2.289  -1.143  -0.531  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.364   0.481   0.152  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        5.694  -0.682   0.867  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        7.017  -0.939   1.236  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        8.013  -0.036   0.891  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        9.281  -0.284   1.244  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.712   1.121   0.185  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.391   1.380  -0.184  0.00  0.00    +0.007 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3