REMARK  Name = BDB031489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.391   0.161   0.017  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1        0.285   1.066   0.408  0.00  0.00    +0.199 C 
ATOM      3  C   LIG    1        1.024   2.074   1.272  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        2.367   1.749   1.366  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        3.281   2.488   2.103  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.808   3.605   2.789  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.448   3.943   2.727  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        0.560   3.171   1.974  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -0.736   3.504   1.961  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        2.602   0.544   0.582  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.718   0.068   0.479  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -0.404   1.831  -0.746  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.684   2.398  -0.594  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.289   3.124  -1.625  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.615   3.315  -2.826  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.358   4.207  -4.094  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.336   2.800  -2.997  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        0.268   2.077  -1.963  0.00  0.00    +0.010 A 
ENDBRANCH   2  12
BRANCH   1  22
ATOM     19  C   LIG    1        0.877  -3.014  -2.692  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1       -0.078  -2.045  -2.454  0.00  0.00    +0.131 A 
ATOM     21  N   LIG    1        0.078  -1.032  -1.563  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1        1.233  -0.933  -0.870  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1        2.238  -1.882  -1.060  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        2.059  -2.929  -1.972  0.00  0.00    +0.024 A 
BRANCH  19  26
ATOM     25  N   LIG    1        0.460  -4.888  -4.427  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        0.647  -4.052  -3.645  0.00  0.00    +0.101 C 
ENDBRANCH  19  26
ENDBRANCH   1  22
BRANCH   2  27
ATOM     27  O   LIG    1       -0.520   0.411   1.403  0.00  0.00    -0.347 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.647  -0.352   1.004  0.00  0.00    +0.167 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.794  -1.516   1.984  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -0.730  -2.640   1.921  0.00  0.00    +0.037 C 
ATOM     31  C   LIG    1       -1.684  -3.427   0.996  0.00  0.00    +0.115 C 
ATOM     32  C   LIG    1       -2.840  -2.585   1.582  0.00  0.00    +0.037 C 
BRANCH  31  33
ATOM     33  O   LIG    1       -1.754  -4.848   1.202  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -1.896  -4.970   2.157  0.00  0.00    +0.210 HD
ENDBRANCH  31  33
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 7