REMARK  Name = BDB015813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.097   0.497  -0.165  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        2.373  -0.372  -0.898  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.044  -0.227  -0.858  0.00  0.00    +0.326 A 
ATOM      4  O   LIG    1        0.320  -1.157  -1.589  0.00  0.00    -0.422 OA
ATOM      5  C   LIG    1       -0.788  -1.687  -0.958  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1       -2.009  -1.739  -1.650  0.00  0.00    +0.125 A 
ATOM      7 CL   LIG    1       -2.089  -1.171  -3.284  0.00  0.00    -0.076 Cl
ATOM      8  C   LIG    1       -3.135  -2.284  -1.014  0.00  0.00    +0.144 A 
ATOM      9  O   LIG    1       -4.376  -2.382  -1.593  0.00  0.00    -0.490 OA
ATOM     10  C   LIG    1       -5.067  -1.126  -1.687  0.00  0.00    +0.229 C 
ATOM     11  C   LIG    1       -5.679  -0.683  -0.349  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -5.367   0.778   0.001  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1       -3.878   1.012   0.267  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -3.564   2.478   0.578  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -2.075   2.783   0.438  0.00  0.00    +0.188 C 
ATOM     16  S   LIG    1       -1.104   2.264   1.853  0.00  0.00    +0.044 S 
ATOM     17  N   LIG    1        0.459   2.532   1.300  0.00  0.00    -0.204 N 
ATOM     18  H   LIG    1        0.991   3.082   1.971  0.00  0.00    +0.175 HD
ATOM     19  C   LIG    1        1.129   1.500   0.602  0.00  0.00    +0.145 A 
ATOM     20  O   LIG    1       -1.295   3.256   2.893  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1       -1.285   0.860   2.142  0.00  0.00    -0.155 OA
ATOM     22  C   LIG    1       -3.014  -2.858   0.256  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -1.791  -2.832   0.919  0.00  0.00    +0.048 A 
ATOM     24 CL   LIG    1       -1.651  -3.540   2.481  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -0.677  -2.249   0.322  0.00  0.00    +0.068 A 
ATOM     26  N   LIG    1        0.382   0.720  -0.181  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        2.504   1.465   0.620  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  34
ATOM     28  C   LIG    1        6.937  -2.482  -0.511  0.00  0.00    +0.152 C 
ATOM     29  N   LIG    1        6.467  -1.110  -0.393  0.00  0.00    -0.318 N 
ATOM     30  C   LIG    1        7.397  -0.077  -0.332  0.00  0.00    +0.251 A 
ATOM     31  O   LIG    1        8.616  -0.214  -0.357  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1        6.827   1.291  -0.234  0.00  0.00    +0.071 A 
ATOM     33  C   LIG    1        5.501   1.475  -0.187  0.00  0.00    +0.017 A 
ATOM     34  C   LIG    1        4.574   0.352  -0.224  0.00  0.00    +0.017 A 
ATOM     35  C   LIG    1        5.099  -0.884  -0.341  0.00  0.00    +0.098 A 
ENDBRANCH   1  34
TORSDOF 1