REMARK  Name = BDB026786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.459  -1.393  -0.463  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.249  -0.656   0.002  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.086  -1.230  -0.564  0.00  0.00    +0.102 C 
ATOM      4  S   LIG    1        1.093  -1.195  -2.379  0.00  0.00    -0.141 S 
ATOM      5  C   LIG    1       -0.377  -2.199  -2.619  0.00  0.00    +0.165 C 
ATOM      6  C   LIG    1       -1.598  -1.870  -1.770  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -2.709  -2.165  -2.227  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.402   0.863  -0.124  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.840   1.486  -1.305  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.950   2.877  -1.383  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.624   3.663  -0.283  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.759   5.375  -0.382  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.191   3.070   0.899  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.083   1.680   0.979  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1        2.342  -0.637   0.062  0.00  0.00    -0.031 A 
ATOM     16  C   LIG    1        2.903   0.579  -0.369  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.032   1.104   0.260  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.691   2.600  -0.277  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.625   0.432   1.325  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.083  -0.773   1.767  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.950  -1.302   1.143  0.00  0.00    +0.005 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     22  C   LIG    1       -3.568  -0.124   0.084  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1       -2.699  -1.356   0.357  0.00  0.00    +0.071 C 
ATOM     24  C   LIG    1       -2.467  -1.524   1.861  0.00  0.00    +0.028 C 
ENDBRANCH   1  23
TORSDOF 3