REMARK  Name = BDB059175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.178  -0.415  -1.875  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.811   0.738  -1.630  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.353   1.512  -0.616  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.751   1.157   0.140  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.338  -0.049  -0.198  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -0.906  -0.828  -1.214  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.138   2.747  -0.420  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.348   3.630  -1.495  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.091   4.804  -1.333  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.643   5.106  -0.092  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        3.558   6.548   0.110  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        2.464   4.242   0.985  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.721   3.067   0.820  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.271   1.991   1.175  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -1.704   2.675   2.006  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        0.832  -1.419  -3.179  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1        0.145  -3.039  -2.726  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1        1.043  -3.954  -0.383  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        0.650  -3.551  -1.444  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1       -2.726  -0.744   0.691  0.00  0.00    -0.027 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.790  -1.774   1.712  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1       -2.024  -3.105   1.883  0.00  0.00    -0.223 N 
ATOM     23  C   LIG    1       -3.027  -3.947   1.296  0.00  0.00    +0.177 C 
ATOM     24  N   LIG    1       -1.102  -3.615   2.720  0.00  0.00    -0.043 NA
ATOM     25  N   LIG    1       -0.325  -2.590   3.047  0.00  0.00    -0.022 NA
ATOM     26  N   LIG    1       -0.739  -1.436   2.424  0.00  0.00    -0.101 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7